SCHEMBL11564602

SCHEMBL11564602

CCOc1cc(OCC)c2cc(C(=O)c3cccnc3)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 5/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL19184781 0.90 KMT2A (0.44) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL52081 0.87 ALDH1A1 (0.68) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL6838345 0.83 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL11563889 0.81 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL29253118 0.81 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL18393805 0.80 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL11219985 0.77 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL194000 0.77 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL51591 0.77 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL6691505 0.76 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A

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-4147552-A Light-sensitive compositions with 3-substituted coumarin compounds as spectral sensitizers EASTMAN KODAK COMPANY (US) 1979-04-03 US disclosed