SCHEMBL8636262

SCHEMBL8636262

CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCCl)CCCl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
LMNA P02545 2/20 0.38
HKDC1 Q2TB90 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3583472 0.90 KMT2A (0.44) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3576339 0.88 KMT2A (0.43) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL2976307 0.87 KMT2A (0.43) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3580003 0.87 KMT2A (0.42) KMT2ANPSR1MEN1HPGDHTT
Dimethylamine SCHEMBL8762457 0.86 KMT2A (0.46) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3579178 0.86 KMT2A (0.41) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3582294 0.86 KMT2A (0.41) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL8636087 0.85 MAPT (0.51) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL3586420 0.84 KMT2A (0.40) KMT2ANPSR1MEN1HPGDHTT
SCHEMBL12104176 0.82 HDAC1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750782-A ANTICARCINOGENIC AGENTS, ANTIHYPOXIC AGENTS, PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-05-12 US disclosed
EP-0616609-B1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RES CAMPAIGN TECH (GB) 1997-06-18 EP disclosed
US-5571845-A Nitroaniline derivatives and their use as anti-tumour agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-11-05 US disclosed
EP-0616609-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS. CANCER RES CAMPAIGN TECH (GB) 1994-09-28 EP disclosed
WO-1993011099-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-06-10 WO disclosed