SCHEMBL6837468

SCHEMBL6837468

Nc1cccc(N(Cc2cccs2)C(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CHRM2 P08172 5/20 0.39
▸ CHRM1 P11229 5/20 0.39
▸ CHRM3 P20309 5/20 0.39
▸ POLB P06746 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL13120863 0.81 ALDH1A1 (0.49) LMNAMAPTTP53POLBTHRB
SCHEMBL6404177 0.71 TRPM8 (0.67) LMNATP53TRPM8POLBTDP1
SCHEMBL14267705 0.69 SIGMAR1 (0.43) LMNAPOLB
SCHEMBL5438790 0.68 TRPM8 (0.58) LMNAMAPTTP53TRPM8CHRM2
SCHEMBL6962482 0.67 MAOA (0.47) —
SCHEMBL3441981 0.66 HSD11B1 (0.53) RIPK1
SCHEMBL28835600 0.66 RIPK1 (0.54) MAPTRIPK1TRPM8POLBTDP1
SCHEMBL6314240 0.66 HDAC1 (0.47) LMNARIPK1POLBTDP1
SCHEMBL6121818 0.65 THRB (0.58) LMNAMAPTTP53TRPM8CHRM2
SCHEMBL28277053 0.65 TRPM8 (0.59) LMNAMAPTTP53TRPM8CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 — — EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
EP-1176956-B1 CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-01-09 — — EP disclosed
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