SCHEMBL17987488

SCHEMBL17987488

Nc1cc(Br)c2sc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR3 P46089 1/20 0.45
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
PTPN1 P18031 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDO2 P48775 1/20 0.38
ALOX5 P09917 1/20 0.36
IDO1 P14902 3/20 0.36
EGFR P00533 2/20 0.36
MEN1 O00255 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
SCHEMBL3878176 0.81 ALDH1A1 (0.53) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL20175699 0.81 GPR3 (0.48) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11768724 0.79 ALDH1A1 (0.50) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL21936519 0.79 PTPN1 (0.46) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11710787 0.79 MAPT (0.50) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3879000 0.79 MAPT (0.50) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2336138 0.79 MAPT (0.46) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11711481 0.79 MAPT (0.50) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL16867080 0.76 PTPN1 (0.47) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22137025 0.76 TNKS (0.48) MAPTRAB9AALDH1A1HPGDSMN1; 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