SCHEMBL8666004

SCHEMBL8666004

c1ccc2c(c1)CC1=C(C2)Cc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.46
TSHR P16473 2/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
ANPEP P15144 2/20 0.37
CYP3A4 P08684 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL15777583 0.85 CYP1A2 (0.74) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL29881712 0.84
SCHEMBL1525601 0.84
SCHEMBL22081972 0.84 CYP1A2 (0.62) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL109650 0.84 CYP1A2 (0.62) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL8664624 0.83 TSHR (0.52) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL8664022 0.81 TSHR (0.58) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL9710344 0.81 TSHR (0.50) CYP1A2CYP2A6TSHRDRD2DRD1
SCHEMBL3978633 0.81 CYP1A2 (0.46) CYP1A2CYP2A6TSHRDRD2DRD1
Water SCHEMBL2528680 0.80

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
US-5808154-A Process for the production of an aromatic hydrazo compound TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-15 US disclosed
EP-0391606-B1 Process for the production of an aromatic hydrazo compound TOYO INK MFG CO (JP) 1995-07-05 EP disclosed
EP-0391606-A1 Process for the production of an aromatic hydrazo compound TOYO INK MANUFACTURING CO., LTD. (JP) 1990-10-10 EP disclosed