SCHEMBL19086319

SCHEMBL19086319

Cc1cc(Sc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL1844887 0.96 ESR2 (0.57) ESR2MAOAMAOBBCL2MCL1
SCHEMBL26052219 0.84 ESR2 (0.42) ESR2MAOAMAOBBCL2MCL1
SCHEMBL1788628 0.84 ESR2 (0.57) ESR2CYP2A6CYP2B6ALDH1A1CYP1A2
SCHEMBL27562020 0.82 MAOA (0.56) ESR2MAOAMAOBBCL2MCL1
SCHEMBL7508501 0.81 GSTP1 (0.50) ESR2MAOAMAOBTDP1L3MBTL1
SCHEMBL21143009 0.80 CYP2A6 (0.45) ESR2MAOAMAOBBCL2MCL1
Hydrogen Sulfide SCHEMBL27782734 0.80 MAOA (0.55) ESR2MAOAMAOBBCL2MCL1
SCHEMBL10007323 0.79 ALDH1A1 (0.47) MAOAMAOBBCL2MCL1ALDH1A1
SCHEMBL5108365 0.78 ALDH1A1 (0.40) ESR2MAOAMAOBBCL2MCL1
SCHEMBL3790322 0.77 ALDH1A1 (0.48) MAOAMAOBBCL2MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190142-B1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER IND TECH RES INST (TW) 2022-05-04 EP disclosed
EP-3190142-A1 METHOD FOR PREPARING POLYARYLENE SULFIDE (PAS) MONOMER Industrial Technology Research Institute (TW) 2017-07-12 EP disclosed