SCHEMBL29426586

SCHEMBL29426586

COC(=O)Cn1nc(CF)c2cc(C(F)(F)F)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ AKR1B1 P15121 9/20 0.47
▸ NLRP3 Q96P20 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GPR139 Q6DWJ6 1/20 0.42
▸ FPR1 P21462 1/20 0.41
▸ FPR2 P25090 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
SCHEMBL26733172 1.00 TSHR (0.48) TSHRAKR1B1NLRP3SMN1; SMN2MAPT
SCHEMBL26733171 0.93 TSHR (0.48) TSHRAKR1B1NLRP3SMN1; SMN2MAPT
SCHEMBL26732653 0.86 TSHR (0.48) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL29426503 0.86 TSHR (0.48) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL26733170 0.86 TSHR (0.48) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL29426566 0.84 NLRP3 (0.63) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL26630481 0.84 NLRP3 (0.53) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL26732911 0.84 NLRP3 (0.63) TSHRAKR1B1NLRP3MAPTGPR139
SCHEMBL26733141 0.83 TSHR (0.50) TSHRAKR1B1NLRP3CYP1A2CYP3A4
SCHEMBL24077078 0.83 CYP2C9 (0.55) AKR1B1NLRP3SMN1; SMN2CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196125-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2023-06-21 — — EP disclosed
WO-2022036204-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2022-02-17 — — WO disclosed
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