SCHEMBL10180940

SCHEMBL10180940

CSc1nc(N)nc([C@](N)(CN2CCOCC2)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ THRB P10828 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ AR P10275 1/20 0.43
▸ RAF1 P04049 4/20 0.42
▸ BRAF P15056 4/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL10180610 0.92 TRPV4 (0.49) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL10181159 0.89 TRPV4 (0.45) TRPV4LMNATHRBKMT2AMEN1
SCHEMBL10181136 0.87 MAPK8 (0.47) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL10180941 0.86 TRPV4 (0.42) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL964841 0.84 KMT2A (0.49) LMNATHRBKMT2ASMN1; SMN2MEN1
SCHEMBL1010086 0.83 KMT2A (0.48) LMNATHRBKMT2ASMN1; SMN2MEN1
SCHEMBL964139 0.83 KMT2A (0.48) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL967745 0.83 KMT2A (0.47) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL1012121 0.82 KMT2A (0.45) TRPV4LMNATHRBKMT2ASMN1; SMN2
SCHEMBL10180611 0.80 TRPV4 (0.46) TRPV4LMNATHRBKMT2ASMN1; 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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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