SCHEMBL6802033

SCHEMBL6802033

NC(=O)c1cccc2nc(-c3c[nH]c4ccccc34)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.50
FGFR3 P22607 1/20 0.47
PDE10A Q9Y233 1/20 0.47
PARP1 P09874 9/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL6807497 0.85 F7 (0.43) PARP1
SCHEMBL6805081 0.82 PARP1 (0.48) PARP1MEN1KMT2AMAPTLMNA
SCHEMBL6802028 0.82 PARP1 (0.66) PARP1PIM1PIM3
SCHEMBL6810200 0.81 ASH1L (0.54) ALDH1A1PARP1LMNASMN1; SMN2KDM4E
SCHEMBL17048129 0.80 KDM4E (0.56) ALDH1A1PARP1KMT2ACYP3A4SMN1; SMN2
SCHEMBL14091304 0.78 SMN1; SMN2 (0.54) FGFR1FGFR2ALDH1A1ATMFGFR3
SCHEMBL27461815 0.78 KDM4E (0.54) FGFR1ALDH1A1PARP1MAPTSMN1; SMN2
SCHEMBL6806330 0.77 MEN1 (0.60) FGFR1ALDH1A1PARP1MEN1KMT2A
SCHEMBL6028912 0.77 ALDH1A1 (0.51) FGFR1FGFR2ALDH1A1ATMPDE10A
SCHEMBL3579908 0.76 PARP1 (0.61) ALDH1A1PARP1SMN1; SMN2KDM4ERAB9A

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed