SCHEMBL10885181

SCHEMBL10885181

CCCCCN(CCCCC)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HRH1 P35367 2/20 0.39
CCR1 P32246 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1930285 0.81 GPR3 (0.53) HTR2AHRH1
SCHEMBL27833740 0.80 KMT2A (0.54) KMT2AMEN1TSHRSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL27833732 0.79 KMT2A (0.53) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL28167099 0.75 GPR3 (0.55) ALDH1A1HTR2AHRH1
SCHEMBL7112658 0.74 GPR3 (0.58) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL6125509 0.74 KMT2A (0.51) KMT2AMEN1TSHRSMN1; SMN2NPSR1
Hexane SCHEMBL27754451 0.73 KMT2A (0.47) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL21436988 0.72 GRM8 (0.51) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL28633848 0.72 KMT2A (0.50) KMT2AMEN1TSHRSMN1; SMN2NPSR1
SCHEMBL11302236 0.70 KMT2A (0.51) KMT2AMEN1TSHRSMN1; SMN2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153480-A3 REACTIVE DYES OF THE DIARYLAMINOXANTHENE SERIES, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1986-03-19 EP disclosed
EP-0153480-A2 Reactive dyes of the diarylaminoxanthene series, their preparation and their use BAYER AG (DE) 1985-09-04 EP disclosed
EP-0153480-A2 Reactive dyes of the diarylaminoxanthene series, their preparation and their use BAYER AG (DE) 1985-09-04 EP disclosed