SCHEMBL11240403

SCHEMBL11240403

CN(C)c1ccc(-c2[c]cccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SYK P43405 5/20 0.43
AURKA O14965 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CYP1A2 P05177 1/20 0.38
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 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
SCHEMBL5539865 0.79 NISCH (0.37) MAPTSMN1; SMN2SYKKDM4EALDH1A1
SCHEMBL1202054 0.77 NOTUM (0.37) SMN1; SMN2AURKAKDM4EALDH1A1HSD17B10
SCHEMBL435455 0.76 CYP1A2 (0.38) MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL1980545 0.76 ALDH1A1 (0.38) MAPTSMN1; SMN2SYKKDM4EALDH1A1
SCHEMBL1973038 0.76 MAPK14 (0.36) MAPTALDH1A1NPC1RAB9ACCNB2
SCHEMBL8081622 0.75 NISCH (0.38) MAPTSMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL1967426 0.75 CLK4 (0.56) SMN1; SMN2SYKAURKAKDM4EALDH1A1
SCHEMBL10562349 0.75 NPC1 (0.38) MAPTSMN1; SMN2SYKALDH1A1TSHR
SCHEMBL2397171 0.75 MAPT (0.42) MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL61346 0.72 MAPT (0.56) MAPTSMN1; SMN2SYKAURKAKDM4E

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-4341894-A 2,4,6 TRI-SUBSTITUTED PYRYLIUM DYE SALTS EASTMAN KODAK COMPANY (US) 1982-07-27 US disclosed
US-4167412-A COMPRISING A PYRYLIUM OR THIOPYRYLIUM SALT EASTMAN KODAK COMPANY (US) 1979-09-11 US disclosed