SCHEMBL5835598

SCHEMBL5835598

CC(C)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.71
▸ MEN1 O00255 8/20 0.71
▸ MAPT P10636 5/20 0.71
▸ RAB9A P51151 4/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ THRB P10828 1/20 0.71
▸ MAPK9 P45984 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ CCNE1 P24864 2/20 0.66
▸ CDK2 P24941 2/20 0.66
▸ CDK5 Q00535 2/20 0.66
▸ STAT3 P40763 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 4/20 0.53
▸ BLM P54132 1/20 0.53
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL5836356 0.88 CCNE1 (0.61) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5836861 0.86 CCNE1 (0.68) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL11149506 0.83 KMT2A (1.00) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6287725 0.83 CCNE1 (0.67) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6185862 0.82 CCNE1 (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5835970 0.82 CCNE1 (0.74) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5837403 0.81 ALDH1A1 (0.68) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5835428 0.81 CDK2 (0.72) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5835396 0.81 CCNE1 (0.72) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL5835431 0.81 CCNE1 (0.72) KMT2AMEN1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 — — US claimed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 — — EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 — — EP claimed
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 — — CN claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 — — US disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 — — EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 — — EP disclosed
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 — — CN disclosed
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