SCHEMBL8634660

SCHEMBL8634660

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 1/20 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 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 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
SCHEMBL8639065 0.87 FLT1 (0.48) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL8637404 0.87 FLT1 (0.51) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL1176899 0.77 CTSD (0.63) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL6971823 0.75 FLT1 (0.58) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL8866483 0.74 CYP3A4 (0.59) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL6971828 0.74 FLT1 (0.57) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL8641420 0.73 POLB (0.44) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL15610402 0.72 LMNA (0.56) FLT1FLT4KDRSMN1; SMN2CYP3A4
SCHEMBL30302454 0.72 KMT2A (0.72) SMN1; SMN2CYP3A4CYP2C19LMNAMEN1
SCHEMBL5341177 0.71 CES2 (0.63) FLT1FLT4KDRSMN1; SMN2CYP3A4

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 1 patent. 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