SCHEMBL9718860

SCHEMBL9718860

Nc1ccccc1-c1nc2ccccc2n1-c1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.46
TSHR P16473 3/20 0.45
KDM4E B2RXH2 5/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
RPS6KB1 P23443 3/20 0.43
ROCK1 Q13464 3/20 0.43
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL17065802 0.88 RAB9A (0.48) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL25225465 0.80 RAB9A (0.64) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL221991 0.77 MAPT (0.63) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL24164250 0.77 NOS2 (0.46) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL8900526 0.74 TSHR (0.55) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL22577608 0.73 TDO2 (0.67) RAB9AMAPTTSHRKDM4EHTT
SCHEMBL23266608 0.73 ESR1 (0.58) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL24120863 0.73 RAB9A (0.51) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL17073547 0.73 AKT1 (0.54) RAB9AMAPTTSHRKDM4ETP53
SCHEMBL2462367 0.72 ESR1 (0.56) RAB9AMAPTTSHRKDM4ETP53

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-5151472-A Dissolving polyetherimides in a solvent, adding a dianhydride and a diamine, reacting to form a polyamic acid and cyclizing to form a polyimide GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) 1992-09-29 US disclosed