SCHEMBL11434839

SCHEMBL11434839

Cc1ccc(N=Nc2ccc(N)cc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 6/20 0.58
CYP3A4 P08684 3/20 0.58
ALDH1A1 P00352 3/20 0.58
ATM Q13315 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
MAPK1 P28482 3/20 0.58
PKM P14618 2/20 0.58
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
ATIC P31939 1/20 0.47
SUMO2 P61956 1/20 0.47

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
SCHEMBL11434837 1.00 RAB9A (0.58) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9009336 0.94 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9009308 0.94 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9009285 0.94 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5720475 0.92 MAPT (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5720474 0.92 MAPT (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11798438 0.89 RAB9A (0.58) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11798432 0.89 RAB9A (0.58) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11685094 0.86 ALDH1A1 (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9611204 0.86 ALDH1A1 (0.61) RAB9ANPC1MEN1KMT2AMAPT

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-4225493-A FOR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed