SCHEMBL17987490

SCHEMBL17987490

Nc1cc(Br)cc2c1sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR3 P46089 1/20 0.45
TDO2 P48775 1/20 0.41
LIMK1 P53667 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 2/20 0.38
ALOX5 P09917 1/20 0.36
HCRTR1 O43613 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 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
SCHEMBL20175699 0.81 GPR3 (0.48) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3878176 0.81 ALDH1A1 (0.53) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17987608 0.81 LIMK1 (0.50) MAPTALDH1A1HPGDLIMK1TNKS
SCHEMBL18342605 0.79 GPR3 (0.45) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL22892556 0.79 ALOX5 (0.46) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL19660522 0.79 MAPT (0.50) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3874863 0.79 MAPT (0.54) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL21936966 0.79 GPR3 (0.45) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL29828454 0.79 GPR3 (0.45) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL21042192 0.77 TNKS (0.49) MAPTALDH1A1RAB9AHPGDSMN1; SMN2

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-2016122150-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2016-08-04 WO disclosed