SCHEMBL30478480

SCHEMBL30478480

O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.59
▸ CD40LG P29965 2/20 0.59
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ENPP2 Q13822 1/20 0.52
▸ THRA P10827 1/20 0.52
▸ APEX1 P27695 1/20 0.51
▸ TIMP3 P35625 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ GPR17 Q13304 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ P2RY2 P41231 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL11473094 0.94 APEX1 (0.54) CD40CD40LGMEN1KMT2ANPC1
SCHEMBL11468420 0.93 MEN1 (0.55) CD40CD40LGMEN1KMT2ANPC1
SCHEMBL11437636 0.87 CD40 (0.57) CD40CD40LGMEN1KMT2ANPC1
SCHEMBL11513442 0.87 CD40 (0.57) CD40CD40LGMEN1KMT2ANPC1
SCHEMBL10412672 0.84 APEX1 (0.69) MEN1KMT2ANPC1RAB9AAPEX1
SCHEMBL11424495 0.83 APEX1 (0.49) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11765604 0.83 KMT2A (0.65) MEN1KMT2ANPC1RAB9AENPP2
SCHEMBL11438115 0.81 TIMP3 (0.69) CD40CD40LGMEN1KMT2AENPP2
Lindane SCHEMBL11436245 0.81 APEX1 (0.45) CD40CD40LGMEN1KMT2ARAB9A
SCHEMBL11433857 0.81 APEX1 (0.58) MEN1KMT2ANPC1RAB9AAPEX1

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
CN-116515996-A Kit for screening colorectal cancer and adenoma in progressive stage 上海伯豪生物技术有限公司 2023-08-01 — — CN disclosed
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