SCHEMBL9623985

SCHEMBL9623985

COc1ccc2c(CCN(C)CCCN3Cc4cc5c(cc4C3=O)OCO5)coc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
SMPD1 P17405 2/20 0.37
HTR1A P08908 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36

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
SCHEMBL9624957 0.90 HRH3 (0.40) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9624396 0.90 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10667609 0.87 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9625131 0.87 SIGMAR1 (0.35) SMPD1
SCHEMBL10664559 0.85 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9623564 0.84 SMPD1 (0.36) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9624193 0.82 SMPD1 (0.39) MAPTSMPD1HTR1A
SCHEMBL9624641 0.82 MTNR1A (0.39) MAPTALDH1A1KDM4ESMPD1
SCHEMBL9625049 0.82 HTR1A (0.49) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10662506 0.81 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed