SCHEMBL31489675

SCHEMBL31489675

O=C(c1ccc(F)cc1)C1CC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ HSD11B1 P28845 5/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL20474671 0.84 MAPT (0.43) CES2PTPN1CA1CA2MGLL
SCHEMBL1350004 0.82 LMNA (0.46) KMT2ACES2CES1HSD11B1CA1
SCHEMBL7998701 0.79 CES2 (0.52) KMT2ACES2CES1HSD11B1PTPN1
SCHEMBL6588567 0.79 KMT2A (0.47) SLC6A3KMT2ACES2CES1HSD11B1
SCHEMBL31164032 0.72 HSD11B1 (0.68) HSD11B1POLBHTR2AHTR2CHTR7
SCHEMBL662115 0.72 HSD11B1 (0.68) HSD11B1POLBHTR2AHTR2CHTR7
SCHEMBL27996131 0.71 NPC1 (0.43) SLC6A3KMT2ACES2CES1HSD11B1
SCHEMBL14248417 0.71 KMT2A (0.46) SLC6A3KMT2AHSD11B1POLB
SCHEMBL662218 0.69 HSD11B1 (0.64) HSD11B1POLBHTR2AHTR2CHTR7
SCHEMBL9420049 0.69 CA1 (0.50) KMT2ACES2CES1HSD11B1PTPN1

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 — — WO disclosed
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