SCHEMBL7596751

SCHEMBL7596751

CC(NC(=S)Nc1cc[c]c(C#N)c1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 3/20 0.50
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
QPCT Q16769 3/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7594768 0.81 KMT2A (0.64) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6810873 0.77 KMT2A (0.53) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6810866 0.73 KMT2A (0.49) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6811087 0.71 KMT2A (0.57) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6811360 0.71 KMT2A (0.67) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6812274 0.70 KMT2A (0.54) KMT2AMEN1ATMALDH1A1LMNA
SCHEMBL6814684 0.70 GPR139 (0.51) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL6814685 0.70 KMT2A (0.69) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6816768 0.69 MEN1 (0.52) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6815540 0.69 LMNA (0.45) KMT2AMEN1POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed