SCHEMBL28396058

SCHEMBL28396058

C#CCOc1cc(OCc2ccccc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ MAOB P27338 10/20 0.46
▸ KAT6A Q92794 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MAOA P21397 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28397428 0.94 KAT6A (0.47) ALOX5MAOBKAT6AALDH1A1LMNA
SCHEMBL28400817 0.88 MAOB (0.52) MAOBMAOA
SCHEMBL31166954 0.86 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL28397085 0.84 MAPK1 (0.42) MAOASMN1; SMN2
SCHEMBL28402703 0.81 MAOB (0.65) ALOX5MAOBMAOA
SCHEMBL28396179 0.80 LMNA (0.60) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL27392692 0.79 KAT6A (0.46) MAOBKAT6AMAOA
SCHEMBL15365 0.79 MAOB (0.58) ALOX5MAOBALDH1A1LMNACYP1A2
SCHEMBL28396007 0.79 MAOB (0.62) ALOX5MAOBMAOA
SCHEMBL28406655 0.78 MEN1 (0.47) ALOX5MAOBALDH1A1LMNACYP1A2

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-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
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