SCHEMBL11377635

SCHEMBL11377635

O=C(Nc1nccs1)c1ccc(Cn2cc(Cc3ncc[nH]3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
NPSR1 Q6W5P4 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HDAC6 Q9UBN7 7/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC8 Q9BY41 4/20 0.50
MAPT P10636 1/20 0.46
HDAC10 Q969S8 5/20 0.46
LMNA P02545 3/20 0.44
SCD O00767 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
POLB P06746 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL11376099 0.87 HDAC6 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC6
SCHEMBL11377556 0.85 HDAC6 (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11389248 0.85 YES1 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC6
SCHEMBL11375809 0.85 HDAC6 (0.59) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC6
SCHEMBL11376219 0.83 HDAC6 (0.54) SMN1; SMN2ALDH1A1HDAC6HDAC1HDAC8
SCHEMBL11382536 0.82 HDAC6 (0.54) RAB9ANPC1NPSR1ALDH1A1HDAC6
SCHEMBL11382798 0.81 HDAC6 (0.51) ALDH1A1HDAC6HDAC1HDAC8HDAC10
SCHEMBL11377629 0.80 CYP19A1 (0.59) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL6755431 0.78 CYP19A1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AHDAC6
SCHEMBL11390324 0.78 F2RL3 (0.55) SMN1; SMN2HDAC6HDAC1HDAC8MAPT

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-4273782-A FOR USE IN CARDIOVASCULAR DISORDERS AND COMPLICATIONS OF DIABETES PFIZER INC. (US) 1981-06-16 US disclosed