SCHEMBL28246576

SCHEMBL28246576

O=C(O)c1sc(-c2cccc(F)c2)nc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TP53 P04637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAP2K4 P45985 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PDE5A O76074 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CFTR P13569 2/20 0.45
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ FAAH O00519 1/20 0.43

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
SCHEMBL15049094 0.88 TRPM8 (0.56) MAPTHPGDTSHRTP53LMNA
SCHEMBL27997076 0.84 CDC7 (0.52) —
SCHEMBL28245727 0.79 CYP1A2 (0.48) LMNACLK4PDE5AALDH1A1
SCHEMBL15049469 0.75 TRPM8 (0.50) MAPTTP53LMNAALDH1A1
SCHEMBL15049531 0.72 CDC7 (0.73) MAPTMEN1KMT2ANPSR1
SCHEMBL3933679 0.72 CLK4 (0.59) MAPTHPGDTSHRLMNACLK1
SCHEMBL1946452 0.70 FYN (0.73) MAPTHPGDTSHRCLK1CLK4
SCHEMBL15049019 0.68 TRPM8 (0.77) ALDH1A1
SCHEMBL3436646 0.67 SMN1; SMN2 (0.70) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL4174800 0.67 KDR (0.51) MAPTHPGDTSHRMAP2K4CLK1

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
CN-104220069-B Trpm8 antagonists 多姆皮制药公司 2018-10-02 — — CN claimed
CN-104220069-B Trpm8 antagonists 多姆皮制药公司 2018-10-02 — — CN disclosed
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