SCHEMBL2446468

SCHEMBL2446468

COc1ccc(N2CCCC(C(N)=O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 5/20 0.49
WDR91 A4D1P6 2/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.47
GFER P55789 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NR4A1 P22736 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
SLC18A3 Q16572 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2449553 0.85 MTNR1A (0.51) SMN1; SMN2MAPTGFERKMT2AKDM2B
SCHEMBL2448228 0.84 WDR91 (0.51) RAB9ANPC1ALDH1A1WDR91SMN1; SMN2
SCHEMBL79756 0.82 WDR91 (0.52) RAB9ANPC1ALDH1A1WDR91POLB
SCHEMBL8125365 0.82 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL2449550 0.81 NOTUM (0.61) RAB9ANPC1ALDH1A1WDR91MAPT
SCHEMBL2451481 0.81 WDR91 (0.66) WDR91KMT2AL3MBTL1PRKDC
SCHEMBL2446475 0.81 KMT2A (0.62) ALDH1A1WDR91SMN1; SMN2MAPTKMT2A
SCHEMBL10207986 0.81 ZAP70 (0.49) RAB9AALDH1A1WDR91SMN1; SMN2KDM4E
SCHEMBL1911872 0.81 ZAP70 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EPRKDC
SCHEMBL12311809 0.81 ZAP70 (0.49) RAB9AALDH1A1WDR91SMN1; SMN2KDM4E

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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed