SCHEMBL12237296

SCHEMBL12237296

CC1(C)C(=O)Nc2ccc([N+](=O)[O-])cc2NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.55
CASP3 P42574 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PGR P06401 3/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CHEK1 O14757 1/20 0.47
PDPK1 O15530 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47

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
SCHEMBL29242097 0.80 MEN1 (0.61) CAPN9CASP3MEN1KMT2AALDH1A1
SCHEMBL31344376 0.80 MEN1 (0.61) CAPN9CASP3MEN1KMT2AALDH1A1
SCHEMBL193560 0.80 MEN1 (0.61) CAPN9CASP3MEN1KMT2AALDH1A1
SCHEMBL1841727 0.80 PGR (0.71) CAPN9CASP3MEN1KMT2APGR
SCHEMBL2144672 0.80 PGR (0.58) CAPN9CASP3MEN1KMT2APGR
SCHEMBL31251189 0.80 PGR (0.71) CAPN9CASP3MEN1KMT2APGR
SCHEMBL31419434 0.80 PGR (0.58) CAPN9CASP3MEN1KMT2APGR
SCHEMBL7754611 0.79 CAPN9 (0.49) CAPN9CASP3MEN1KMT2APGR
SCHEMBL755345 0.79 MEN1 (0.49) CAPN9CASP3MEN1KMT2APGR
SCHEMBL14328385 0.76 AKR1B1 (0.49) CAPN9CASP3MEN1KMT2APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8584757-B2 Method and composition for treating fluids before injection into subterranean zones HALLIBURTON ENERGY SERVICES, INC. (US) 2013-11-19 US disclosed
US-20110259592-A1 METHOD AND COMPOSITION FOR TREATING FLUIDS BEFORE INJECTION INTO SUBTERRANEAN ZONES HALLIBURTON ENERGY SERVICES INC. (US) 2011-10-27 US disclosed