SCHEMBL19590914

SCHEMBL19590914

CC(C)Cc1nnc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ LMNA P02545 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ RXFP1 Q9HBX9 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.54
▸ TRPA1 O75762 2/20 0.54
▸ ADORA2B P29275 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ THRB P10828 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL10113960 0.86 HSD17B10 (0.72) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL14747684 0.81 KMT2A (0.74) KMT2AMEN1LMNAGAARXFP1
SCHEMBL15075804 0.80 LMNA (0.63) KMT2AMEN1LMNAGAARXFP1
SCHEMBL5462777 0.78 RXFP1 (0.78) KMT2AMEN1LMNAGAARXFP1
SCHEMBL12260308 0.77 KMT2A (0.68) KMT2AMEN1LMNAGAARXFP1
SCHEMBL12584223 0.77 LMNA (0.71) KMT2AMEN1LMNAGAARXFP1
SCHEMBL10113885 0.77 KMT2A (0.71) KMT2AMEN1LMNAGAARXFP1
SCHEMBL4539987 0.77 GAA (0.64) KMT2AMEN1LMNAGAARXFP1
SCHEMBL12584232 0.77 KMT2A (0.61) KMT2AMEN1RXFP1MAPK1TP53
SCHEMBL17744968 0.76 RXFP1 (0.75) KMT2AMEN1LMNAGAARXFP1

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
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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