SCHEMBL1737245

SCHEMBL1737245

Cc1cccc(Cn2c(C)c(C)c3ccnc(CNc4ccc(F)cc4)c32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HTR1E P28566 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH3 Q9ULD8 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
Hydrochloric Acid SCHEMBL1737763 0.99 KCNH3 (0.37) MAPK1HTR1ENPSR1S1PR3MAPT
SCHEMBL1738584 0.93 CCNT1 (0.40) MAPTGAAALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL1735321 0.92 CCNT1 (0.40) MAPTGAAALDH1A1LMNACYP1A2
SCHEMBL1738229 0.90 MAPT (0.46) NPSR1MAPTPOLBGAAALDH1A1
Hydrochloric Acid SCHEMBL1736638 0.89 MAPT (0.45) NPSR1MAPTPOLBGAAALDH1A1
SCHEMBL1736202 0.89 KCNH3 (0.44) MAPK1MAPTALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL1736590 0.88 KCNH3 (0.45) MAPK1MAPTPOLBALDH1A1LMNA
SCHEMBL1738308 0.88 AURKA (0.44) MAPTGAAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736916 0.87 AURKA (0.43) MAPTGAAALDH1A1CYP1A2CYP3A4
SCHEMBL1737194 0.85 MAPT (0.39) MAPK1MAPTGAACYP1A2CYP2D6

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed