SCHEMBL30103062

SCHEMBL30103062

COc1cc(-c2cnc(CCl)cn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.49
▸ PHF8 Q9UPP1 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 1/20 0.36
▸ FYN P06241 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 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
SCHEMBL24785826 1.00 KDM1A (0.49) KDM1APHF8GRM5KDM4EALDH1A1
SCHEMBL24785814 0.89 ALDH1A1 (0.47) KDM4EALDH1A1TDP1PTGS2ALOX5AP
SCHEMBL30103128 0.89 ALDH1A1 (0.47) KDM4EALDH1A1TDP1PTGS2ALOX5AP
SCHEMBL30103087 0.86 KDM1A (0.49) KDM1APHF8GRM5PTGS2ALOX5AP
SCHEMBL24785829 0.86 KDM1A (0.49) KDM1APHF8GRM5PTGS2ALOX5AP
SCHEMBL24784623 0.83 GRM5 (0.46) KDM1AGRM5KDM4EALDH1A1TDP1
SCHEMBL30103001 0.83 GRM5 (0.46) KDM1AGRM5KDM4EALDH1A1TDP1
SCHEMBL24785054 0.76 GRIN2B (0.38) KDM1APHF8GRM5ALDH1A1PTGS2
SCHEMBL24785816 0.75 NPC1 (0.47) KDM4EALDH1A1PTGS2ALOX5APFEN1
SCHEMBL30103021 0.75 NPC1 (0.47) KDM4EALDH1A1PTGS2ALOX5APFEN1

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 — — CN disclosed
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