SCHEMBL5836520

SCHEMBL5836520

CC(C)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ PPARG P37231 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ RORC P51449 7/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THPO P40225 1/20 0.53

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
SCHEMBL5836064 0.91 MAPT (0.57) SMN1; SMN2MAPK1KMT2AMAPTTP53
SCHEMBL5836343 0.87 KMT2A (0.52) SMN1; SMN2MAPK1KMT2AMEN1MAPT
SCHEMBL7128930 0.85 RORC (0.59) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL5835944 0.84 CDK2 (0.57) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL7126974 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4MAPK1PPARGALOX15
SCHEMBL5835919 0.82 CDK2 (0.55) SMN1; SMN2KMT2AMAPTLMNACYP1A2
SCHEMBL5836861 0.82 CCNE1 (0.68) SMN1; SMN2CYP3A4KMT2AMEN1MAPT
SCHEMBL5836737 0.80 KMT2A (0.61) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL5835824 0.80 STAT3 (0.59) CYP3A4MAPK1KMT2AMEN1MAPT
SCHEMBL5836333 0.80 ALDH1A1 (0.61) SMN1; SMN2CYP3A4KMT2ACYP1A2CYP2C19

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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