SCHEMBL11577835

SCHEMBL11577835

CC(C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HSPB1 P04792 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GPR35 Q9HC97 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2129944 0.85 ALDH1A1 (0.49) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL7824979 0.85 TTR (0.49) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL27744454 0.83 MEN1 (0.49) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL10594916 0.83 TDP1 (0.46) KMT2AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL10616262 0.83 MEN1 (0.49) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL1345382 0.83 MEN1 (0.44) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL3584980 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19329393 0.80 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1TP53
SCHEMBL2130850 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3584977 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4113282-A TETRANITRODIPHENYL ACETIC ACID DERIVATIVES THE MEAD CORPORATION (US) 1978-09-12 US disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 US disclosed