SCHEMBL17115169

SCHEMBL17115169

Cc1cc(Br)cc2nn(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NQO2 P16083 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ ADORA2A P29274 2/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL17102297 0.81 MAPT (0.44) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL22723724 0.80 ALDH1A1 (0.42) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL16722440 0.79 ALDH1A1 (0.39) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL17121178 0.79 ALDH1A1 (0.39) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL25481640 0.78 ALDH1A1 (0.38) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL15910744 0.77 ALDH1A1 (0.50) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL20719544 0.77 KDM4E (0.34) ALDH1A1POLBNQO2KDM4EL3MBTL1
SCHEMBL17102311 0.77 NQO2 (0.41) MAPTALDH1A1POLBNQO2KDM4E
SCHEMBL17121092 0.74 ALDH1A1 (0.36) MAPTALDH1A1POLBKDM4ENSD2
SCHEMBL15910523 0.74 MAPT (0.69) MAPTALDH1A1POLBKDM4EL3MBTL1

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-2015140054-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 — — WO disclosed
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