SCHEMBL10413406

SCHEMBL10413406

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
TIMP3 P35625 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
USP2 O75604 2/20 0.58
RECQL P46063 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.53
HPSE Q9Y251 4/20 0.52
ENPP3 O14638 1/20 0.52
ENTPD3 O75355 1/20 0.52
NR1I2 O75469 1/20 0.52
PRKD3 O94806 1/20 0.52
TDP2 O95551 1/20 0.52
CBX7 O95931 1/20 0.52
NSD2 O96028 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL30388456 0.92 KMT2A (0.69) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL7613478 0.92 KMT2A (0.69) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL11431474 0.89 KMT2A (0.59) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL10413972 0.89 TIMP3 (0.58) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL11212276 0.88 KMT2A (0.58) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL11212273 0.88 KMT2A (0.58) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL30388503 0.87 KMT2A (0.75) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL11432585 0.87 TIMP3 (0.49) MEN1KMT2ATIMP3TDP1USP2
SCHEMBL11434217 0.87 RAB9A (0.61) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL11762076 0.85 KMT2A (0.60) MEN1KMT2ATIMP3TDP1USP2

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