SCHEMBL26437685

SCHEMBL26437685

CCOC(=O)Cn1nc(C(F)(F)F)c2c1C(F)(F)C(C)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TSHR P16473 6/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL24165329 0.84 LMNA (0.50) POLBTSHRLMNATDP1NPSR1
SCHEMBL19890880 0.84 LMNA (0.50) POLBTSHRLMNATDP1NPSR1
SCHEMBL24088583 0.84 LMNA (0.50) POLBTSHRLMNATDP1NPSR1
SCHEMBL20079129 0.80 TSHR (0.32) TSHRLMNATDP1NPSR1GAA
SCHEMBL23793795 0.80 TSHR (0.32) TSHRLMNATDP1NPSR1GAA
SCHEMBL15708270 0.80 TRPM2 (0.43) TRPM2POLBCYP2C19CYP2C9MAPK1
SCHEMBL14487956 0.77 TRPM2 (0.46) TRPM2POLBCYP2C19TSHRLMNA
SCHEMBL21420081 0.76 MAPK1 (0.35) TRPM2POLBCYP2C19CYP2C9MAPK1
SCHEMBL15708301 0.76 TRPM2 (0.37) TRPM2POLBCYP2C19CYP2C9MAPK1
SCHEMBL21407652 0.76 TRPM2 (0.37) TRPM2POLBCYP2C19CYP2C9MAPK1

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
EP-4253366-A2 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION Gilead Sciences, Inc. (US) 2023-10-04 — — EP disclosed
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