SCHEMBL24785829

SCHEMBL24785829

COc1cc(-c2cnc(CO)cn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.49
▸ PHF8 Q9UPP1 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ FYN P06241 4/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ GRK6 P43250 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ AVPR1A P37288 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
SCHEMBL30103087 1.00 KDM1A (0.49) KDM1APHF8GRM5FYNALOX5AP
SCHEMBL24785816 0.89 NPC1 (0.47) FYNALOX5APFEN1TDO2PDGFRB
SCHEMBL30103021 0.89 NPC1 (0.47) FYNALOX5APFEN1TDO2PDGFRB
SCHEMBL30103062 0.86 KDM1A (0.49) KDM1APHF8GRM5FYNALOX5AP
SCHEMBL24785826 0.86 KDM1A (0.49) KDM1APHF8GRM5FYNALOX5AP
SCHEMBL24784615 0.83 GRM5 (0.46) KDM1AGRM5FYNGRK6PAX8
SCHEMBL30103063 0.81 KDM1A (0.55) KDM1AFYNROCK2
SCHEMBL24785040 0.81 KDM1A (0.55) KDM1AFYNROCK2
SCHEMBL30103043 0.81 KDM1A (0.55) KDM1AFYNROCK2
SCHEMBL24785814 0.75 ALDH1A1 (0.47) ALOX5APFEN1TDO2PDGFRBPDGFRA

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-2022257960-A1 BICYCLIC COMPOUND FOR THE TREATMENT OF EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 — — WO disclosed
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