SCHEMBL8637404

SCHEMBL8637404

O=C(NN(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 3/20 0.46
CES2 O00748 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8634660 0.87 FLT1 (0.48) FLT1FLT4KDRMAPTPOLB
SCHEMBL8639065 0.87 FLT1 (0.48) FLT1FLT4KDRMAPTPOLB
SCHEMBL8641420 0.86 POLB (0.44) FLT1FLT4KDRMAPTPOLB
SCHEMBL1176899 0.77 CTSD (0.63) FLT1FLT4KDRMAPTPOLB
SCHEMBL8633723 0.76 ALOX5 (0.47) MAPTSMN1; SMN2CYP3A4LMNAMEN1
SCHEMBL6971823 0.75 FLT1 (0.58) FLT1FLT4KDRMAPTPOLB
SCHEMBL8635373 0.75 ALDH1A1 (0.42) POLBSMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL8640126 0.74 MAPT (0.45) FLT1FLT4KDRMAPTPOLB
SCHEMBL8866483 0.74 CYP3A4 (0.59) FLT1FLT4KDRMAPTPOLB
SCHEMBL6971828 0.74 FLT1 (0.57) FLT1FLT4KDRMAPTPOLB

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