SCHEMBL9074113

SCHEMBL9074113

O=C(O)c1cc([N+](=O)[O-])ccc1Cl.O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 1/20 0.53
THPO P40225 1/20 0.53
MTOR P42345 1/20 0.53
PMP22 Q01453 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
SCHEMBL8452259 0.95 ALDH1A1 (0.51) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL231222 0.85 KMT2A (0.63) RORCMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6202524 0.84 KMT2A (0.61) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6392429 0.84 KMT2A (0.61) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8450902 0.84 KMT2A (0.61) RORCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3671 0.82 TSHR (0.68) MAPTMEN1KMT2ATSHRCYP1A2
SCHEMBL30893562 0.82 TSHR (0.68) MAPTMEN1KMT2ATSHRCYP1A2
SCHEMBL30215953 0.81 KMT2A (0.55) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10824707 0.81 TSHR (0.66) MAPTMEN1KMT2ATSHRCYP1A2
SCHEMBL7791983 0.81 TSHR (0.66) MAPTMEN1KMT2ATSHRCYP1A2

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
WO-1996029067-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1996-09-26 WO disclosed