SCHEMBL27958629

SCHEMBL27958629

COC(=O)c1cnc(C)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 14/20 0.58
▸ AXL P30530 1/20 0.49
▸ GABRA1 P14867 2/20 0.48
▸ GABRG2 P18507 2/20 0.48
▸ GABRB3 P28472 2/20 0.48
▸ GABRA3 P34903 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ PDCD1 Q15116 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL28109275 0.84 LDHA (0.57) POLQGABRA1GABRG2GABRB3GABRA3
SCHEMBL30640199 0.84 POLQ (0.59) POLQ
SCHEMBL24500766 0.84 POLQ (0.59) POLQ
SCHEMBL31019111 0.81 POLQ (0.61) POLQMAPTHTT
SCHEMBL30017905 0.81 POLQ (0.61) POLQMAPTHTT
SCHEMBL22717466 0.81 POLQ (0.61) POLQMAPTHTT
SCHEMBL12121707 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL16419694 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL24770892 0.80 POLQ (0.56) POLQ
SCHEMBL30017513 0.80 POLQ (0.56) POLQ

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
CN-103864754-A Five-membered azole heterocycle compound, preparation method, drug composition and use thereof SHANGHAI INST MATERIA MEDICA 2014-06-18 — — CN disclosed
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