SCHEMBL3719458

SCHEMBL3719458

CCNc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 3/20 0.34
CDK2 P24941 5/20 0.34
CCNA2 P20248 4/20 0.34
CCNA1 P78396 4/20 0.34
F2RL3 Q96RI0 1/20 0.34
CDK1 P06493 4/20 0.34
CCNB2 O95067 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
SYK P43405 1/20 0.33
GALR1 P47211 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL3720374 0.93 EGFR (0.34) PARP15PARP10MAPTEGFRCDK2
SCHEMBL3722666 0.90 MAOA (0.37) PARP15PARP10MAOAMAOBMAPT
SCHEMBL3717502 0.88 KCNH2 (0.36) MAPTEGFREPHA2KDREPHB4
SCHEMBL3717024 0.87 SCN7A (0.38) PARP15PARP10MAOAMAOBMAPT
SCHEMBL3717500 0.85 MAPT (0.39) MAPT
SCHEMBL3718624 0.84 ACACB (0.46) MAPTEGFRACACBCYP3A4CYP2C9
SCHEMBL3722045 0.83 MAPT (0.38) MAPT
SCHEMBL3721905 0.83 EPHA2 (0.38) EGFRCDK2CCNA2CCNA1CDK1
SCHEMBL3720087 0.82 MAPT (0.38) MAPTACACBACACA
SCHEMBL3721101 0.81 PDE4B (0.44) PARP15PARP10CDK2CCNA2CCNA1

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed