SCHEMBL11226441

SCHEMBL11226441

C=CCc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL12967558 0.84 RAB9A (0.40) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL11229722 0.81 MAPT (0.36) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL9706307 0.81 IDO1 (0.45) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4563435 0.81 TDP1 (0.47) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL3258004 0.81 MAPT (0.50) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL11231260 0.80 MAPT (0.38) KMT2AALDH1A1MAPTTP53POLB
SCHEMBL1976712 0.78 TDP1 (0.51) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL13628993 0.78 RAB9A (0.42) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL31570020 0.78 TDP1 (0.51) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL12350646 0.78 DDAH1 (0.58) RAB9AKMT2ANPC1ALDH1A1MAPT

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-0088595-A2 Cyanine dyes for sensitizing silver halide emulsions to infrared radiation and photographic elements including them MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-09-14 EP disclosed