SCHEMBL17277455

SCHEMBL17277455

CSCc1cc(C)cc(OC[C@H](F)CN)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ KMT2A Q03164 2/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL17277522 0.86 NOS3 (0.30) —
SCHEMBL17277594 0.85 F2 (0.37) F2KMT2ATACR1SMN1; SMN2
SCHEMBL17277450 0.84 F2 (0.37) F2KMT2ATACR1SMN1; SMN2
SCHEMBL17277605 0.82 TAAR1 (0.38) F2KMT2ATACR1SMN1; SMN2
SCHEMBL12062333 0.82 — —
SCHEMBL17484567 0.81 F2 (0.35) F2KMT2ATACR1SMN1; SMN2
SCHEMBL17277614 0.76 ADRB2 (0.35) F2KMT2ASMN1; SMN2
SCHEMBL17277596 0.75 F2 (0.41) F2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20082593 0.75 TACR1 (0.33) F2KMT2ATACR1
SCHEMBL17277446 0.74 F2 (0.36) F2KMT2ALMNA

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-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
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