SCHEMBL10413972

SCHEMBL10413972

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.58
CD40 P25942 2/20 0.57
CD40LG P29965 2/20 0.57
MAPT P10636 3/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
RECQL P46063 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.49
APEX1 P27695 1/20 0.47
HPSE Q9Y251 2/20 0.47
ENPP3 O14638 1/20 0.47
ENTPD3 O75355 1/20 0.47
NR1I2 O75469 1/20 0.47
PRKD3 O94806 1/20 0.47
TDP2 O95551 1/20 0.47

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
SCHEMBL10413406 0.89 MEN1 (0.58) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL3297268 0.88 TIMP3 (0.66) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11432585 0.88 TIMP3 (0.49) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11444114 0.88 TIMP3 (0.46) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11444026 0.87 TIMP3 (0.46) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11587244 0.87 TIMP3 (0.46) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11444111 0.87 TIMP3 (0.45) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11444025 0.85 KMT2A (0.46) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL11425283 0.85 CD40 (0.64) TIMP3CD40CD40LGMAPTRAB9A
SCHEMBL6561310 0.84 TIMP3 (0.62) TIMP3MAPTMEN1KMT2AUSP2

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-4929719-A Fiber-reactive dyes containing an aniline radical which carries two different vinylsulfonyl moieties CIBA-GEIGY CORPORATION (US) 1990-05-29 US disclosed