SCHEMBL25072801

SCHEMBL25072801

O=C(O)C1CCC(/C=N/S(=O)(=O)c2cnc(-c3ccc(F)cc3)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 6/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ DGAT1 O75907 3/20 0.33
▸ VCP P55072 2/20 0.33
▸ GCK P35557 1/20 0.33
▸ GCKR Q14397 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL25738984 0.79 LMNA (0.43) TAS2R14VCPPOLBKDM4EALDH1A1
SCHEMBL25073051 0.78 ALDH1A1 (0.44) TAS2R14PTPN11DGAT1VCPALDH1A1
SCHEMBL25734897 0.78 ALDH1A1 (0.44) TAS2R14PTPN11DGAT1VCPALDH1A1
SCHEMBL25072802 0.78 ALDH1A1 (0.44) TAS2R14PTPN11DGAT1VCPALDH1A1
SCHEMBL25072808 0.76 POLB (0.50) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL25072803 0.71 MAPT (0.61) POLBALDH1A1MAPTNPSR1KMT2A
SCHEMBL25072797 0.66 PTPN11 (0.40) PTPN11GCKGCKRKDM4ENPC1
SCHEMBL25073050 0.66 CA2 (0.45) PTPN11GCKGCKRKDM4ENPC1
SCHEMBL25072475 0.66 PTPN11 (0.42) PTPN11GCKGCKRKDM4ENPC1
SCHEMBL25073028 0.63 PTPN11 (0.44) PTPN11GCKGCKRRORCPOLB

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-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 — — WO disclosed
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