SCHEMBL30103128

SCHEMBL30103128

COc1ccc(-c2cnc(CCl)cn2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ CYP17A1 P05093 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NAAA Q02083 3/20 0.42

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
SCHEMBL24785814 1.00 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24785826 0.89 KDM1A (0.49) ALDH1A1PDGFRBPDGFRAKDM4EPTGS2
SCHEMBL30103062 0.89 KDM1A (0.49) ALDH1A1PDGFRBPDGFRAKDM4EPTGS2
SCHEMBL24785816 0.86 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30103021 0.86 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12987006 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24785829 0.75 KDM1A (0.49) PDGFRBPDGFRAPTGS2ALOX5APFEN1
SCHEMBL30103087 0.75 KDM1A (0.49) PDGFRBPDGFRAPTGS2ALOX5APFEN1
SCHEMBL12987609 0.75 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL24667671 0.74 PDGFRB (0.36) ALDH1A1PDGFRBPDGFRACYP17A1KDM4E

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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