SCHEMBL5810306

SCHEMBL5810306

Cc1[nH]c2c(SCc3ccc(Cl)cc3)nccc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
MAPK1 P28482 2/20 0.43
THRB P10828 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DAO P14920 2/20 0.38
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 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
Hydrochloric Acid SCHEMBL5806022 0.99 CDC7 (0.45) CDC7DBF4MAPK1THRBMAPT
SCHEMBL5810486 0.85 SMN1; SMN2 (0.46) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL5808896 0.75 HTR6 (0.50) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5810619 0.72 CDC7 (0.40) CDC7DBF4MAPK1THRBMAPT
SCHEMBL1735797 0.72 TDO2 (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5811789 0.71 MAPK1 (0.40) CDC7DBF4MAPK1THRBMAPT
Hydrochloric Acid SCHEMBL1737608 0.71 TDO2 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5809193 0.70 MAPK1 (0.40) CDC7DBF4MAPK1THRBMAPT
SCHEMBL1737822 0.70 MAPT (0.47) MAPK1MAPTRXFP1SMN1; SMN2POLB
SCHEMBL1737740 0.69 CYP1A2 (0.40) MAPTTP53SMN1; SMN2POLBCYP1A2

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed