SCHEMBL1018884

SCHEMBL1018884

c1ccc2c(c1)CCN2c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
HTR3A P46098 1/20 0.51
TP53 P04637 1/20 0.50
TRPC3 Q13507 1/20 0.48
PDE10A Q9Y233 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC11 Q96DB2 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK1 Q13464 1/20 0.44
SLC11A2 P49281 1/20 0.44
MGLL Q99685 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL569493 0.84 ROCK1 (0.47) BCHEACHEHTR3ATP53TRPC3
SCHEMBL23771247 0.76 HDAC11 (0.63) BCHEACHEHTR3ATP53TRPC3
SCHEMBL12473779 0.73 ACSS2 (0.39) HPGDBCHEACHEHTR3ATP53
SCHEMBL30968845 0.73 BCHE (0.49) ALDH1A1BCHEACHEHTR3ATP53
SCHEMBL5107893 0.72 BCHE (0.49) BCHEACHEHTR3ATP53TRPC3
SCHEMBL5269016 0.72 ALDH1A1 (0.56) ALDH1A1HPGDHTR3ASMN1; SMN2MAPT
SCHEMBL7017150 0.72 HTR3A (0.58) BCHEACHEHTR3ATP53TRPC3
SCHEMBL5319075 0.72 ROCK1 (0.50) ALDH1A1HPGDTP53SMN1; SMN2MAPT
SCHEMBL10324128 0.71 PIM1 (0.65) ALDH1A1HPGDSMN1; SMN2ROCK1
SCHEMBL930442 0.71 TSHR (0.55) ALDH1A1HPGDTP53SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4125800-A1 BIO-BASED POLYURETHANE DISPERSIONS FOR DECORATIVE COSMETIC APPLICATIONS Covestro Deutschland AG (DE) 2023-02-08 EP disclosed
EP-4114347-A1 COSMETIC COMPOSITION FOR FORMING A FILM HAVING ELEVATED ELASTICITY AND EXTENSIBILITY Covestro Deutschland AG (DE) 2023-01-11 EP disclosed
EP-3177267-B1 POLYURETHANEUREA SOLUTIONS FOR COSMETIC COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2022-01-05 EP disclosed
WO-2021198051-A1 BIO-BASED POLYURETHANE DISPERSIONS FOR DECORATIVE COSMETIC APPLICATIONS COVESTRO DEUTSCHLAND AG (DE) 2021-10-07 WO disclosed
EP-3888627-A1 BIO-BASED POLYURETHANE DISPERSIONS FOR DECORATIVE COSMETIC APPLICATIONS Covestro Deutschland AG (DE) 2021-10-06 EP disclosed
EP-3889196-A1 BIOBASED POLYURETHANE DISPERSIONS FOR SUNSCREEN APPLICATIONS Covestro Deutschland AG (DE) 2021-10-06 EP disclosed
EP-2271307-B1 SKIN CARE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2019-11-20 EP disclosed
EP-2271305-B1 SUNSCREEN COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2019-09-04 EP disclosed
EP-2271306-B1 DECORATIVE COSMETIC COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2019-08-28 EP disclosed
EP-2542212-B1 SUN PROTECTION COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2018-02-21 EP disclosed
EP-2271306-A1 DECORATIVE COSMETIC COMPOSITIONS Bayer MaterialScience AG (DE) 2011-01-12 EP disclosed
EP-2262575-A2 PARTICLES, OBTAINED BY DRYING AN AQUEOUS NANOUREA DISPERSION Bayer MaterialScience AG (DE) 2010-12-22 EP disclosed
WO-2009121501-A2 PARTICLES, OBTAINED BY DRYING AN AQUEOUS NANOUREA DISPERSION BAYER MATERIALSCIENCE AG (DE) 2009-10-08 WO disclosed
EP-2106833-A1 Particle derived from drying a liquid nano-uric dispersion Bayer MaterialScience AG (DE) 2009-10-07 EP disclosed
WO-2009118103-A1 SUN PROTECTION COMPOSITIONS BAYER MATERIALSCIENCE AG (DE) 2009-10-01 WO disclosed
WO-2009118107-A2 SKIN CARE COMPOSITION BAYER MATERIALSCIENCE AG (DE) 2009-10-01 WO disclosed
WO-2009118106-A1 DECORATIVE COSMETIC COMPOSITIONS BAYER MATERIALSCIENCE AG (DE) 2009-10-01 WO disclosed
EP-2105126-A1 Decorative cosmetic compounds Bayer MaterialScience AG (DE) 2009-09-30 EP disclosed
EP-2105125-A1 Skin care composition Bayer MaterialScience AG (DE) 2009-09-30 EP disclosed
EP-2105124-A1 Sunscreen compositions Bayer MaterialScience AG (DE) 2009-09-30 EP disclosed