SCHEMBL20828355

SCHEMBL20828355

CCN(CF)c1ccnc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(N6CC(F)(F)C6)ccn5)s4)C3)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 11/20 0.53
▸ ROCK2 O75116 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15725181 0.91 GLS (0.63) GLSSMN1; SMN2
SCHEMBL17172639 0.86 GLS (0.57) GLSRAB9A
SCHEMBL17172548 0.86 GLS (0.57) GLSRAB9A
SCHEMBL15725185 0.81 GLS (0.67) GLSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15725182 0.80 GLS (0.64) GLSMEN1KMT2AALDH1A1RAB9A
SCHEMBL20392328 0.80 GLS (0.49) GLSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15725178 0.79 GLS (0.65) GLSMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15725177 0.79 GLS (0.61) GLSMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17172664 0.78 GLS (0.59) GLSMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15752627 0.78 GLS (0.61) GLSMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP disclosed
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