SCHEMBL10043602

SCHEMBL10043602

CC1(C)c2cc(N)ccc2-c2c1ccc1c2sc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX5 P09917 1/20 0.34
PRKDC P78527 2/20 0.33
GPR3 P46089 1/20 0.33
ALK Q9UM73 1/20 0.32
PARP14 Q460N5 1/20 0.32
LIMK1 P53667 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL12594463 0.86 ALOX5 (0.38) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19010481 0.86 MAPT (0.37) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL10108824 0.85 KDM4E (0.38) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL16864416 0.85 ALOX5 (0.34) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL16162653 0.85 IDO1 (0.36) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30761905 0.85 KDM4E (0.38) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL4554952 0.84 PARP14 (0.39) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17736179 0.81 ALOX5 (0.34) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL16162682 0.81 ALOX5 (0.37) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL16170150 0.81 ALOX5 (0.36) MAPTALOX5PRKDCALKPARP14

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
WO-2012015265-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2012-02-02 WO disclosed