SCHEMBL18554527

SCHEMBL18554527

CO/N=C/Cc1ccc(Cl)c(-c2cccc(NC(=O)[C@@H]3C[C@@H](F)CN3)c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.37
▸ CTSC P53634 4/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ CD274 Q9NZQ7 4/20 0.31
▸ F2 P00734 2/20 0.31
▸ SUCNR1 Q9BXA5 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ PTGES O14684 1/20 0.30

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
SCHEMBL22559846 0.81 CFD (0.37) CFDCTSCMEN1KMT2ACD274
SCHEMBL20378093 0.81 CFD (0.37) CFDCTSCMEN1KMT2ACD274
SCHEMBL17024751 0.79 CFD (0.38) CFDCTSCPTGES
SCHEMBL18576565 0.79 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL29545547 0.79 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL18555502 0.79 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL17053073 0.79 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL17023724 0.79 CFD (0.42) CFDCTSCMEN1KMT2ACHRM1
SCHEMBL17031918 0.78 CTSC (0.36) CFDCTSCMEN1KMT2A
Hydrochloric Acid SCHEMBL17023497 0.78 CFD (0.41) CFDCTSCMEN1KMT2ACHRM1

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-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
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