SCHEMBL3400595

SCHEMBL3400595

c1ccc2c(-n3c4ccccc4c4ccncc43)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
TDO2 P48775 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
IKBKB O14920 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PIM1 P11309 1/20 0.42
TOP1 P11387 1/20 0.42
GABRA1 P14867 1/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL17861173 0.86 ATM (0.45) IMPDH2KDM4EALDH1A1
SCHEMBL22461750 0.76 MAOA (0.46) MAOAMAOBTDO2KDM4EGABRP
SCHEMBL12383068 0.75 MAOA (0.41) MAOAMAOBTDO2KDM4EGABRP
SCHEMBL31321551 0.74 MAOA (0.40) MAOAMAOBTDO2KDM4EGABRP
SCHEMBL5021391 0.73 KDM4E (0.50) MAOAMAOBTDO2KDM4EGABRP
SCHEMBL16356754 0.73 KDM4E (0.50) MAOAMAOBTDO2KDM4EGABRP
SCHEMBL15428469 0.73 KDM4E (0.67) MAOAMAOBKDM4EALDH1A1IDO1
SCHEMBL30322705 0.72 IDO1 (0.44) MAPK1MAOAMAOBTDO2KDM4E
SCHEMBL7375006 0.71 TDO2 (0.45) IMPDH2MAPK1HSD17B10TDO2PIM1
SCHEMBL18252170 0.71 DUSP3 (0.40) MAPK1MAOAMAOBTDO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010148350-A1 PHOTOPRODUCTS OF TRYPTOPHAN, THEIR SYNTHESIS AND USES THEREOF CORNELL UNIVERSITY (US) 2010-12-23 WO disclosed