SCHEMBL10438557

SCHEMBL10438557

CCCc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ ALPL P05186 2/20 0.48
▸ BCL2L1 Q07817 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ GUSB P08236 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ SLC25A1 P53007 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL7015594 0.80 GUSB (0.66) CA12CA2CA9MEN1KMT2A
SCHEMBL7572373 0.79 L3MBTL1 (0.67) CA12CA2CA9MEN1KMT2A
SCHEMBL11348338 0.77 MAPT (0.59) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10438554 0.77 CRHBP (0.64) CA12CA2CA9MEN1KMT2A
SCHEMBL11407805 0.77 CA2 (0.63) CA12CA2CA9MEN1KMT2A
SCHEMBL6275260 0.76 CA2 (0.47) CA12CA2CA9MAPTLMNA
SCHEMBL23832738 0.76 CA12 (0.61) CA12CA2CA9MEN1KMT2A
SCHEMBL8820451 0.76 CA2 (0.61) CA12CA2CA9MEN1KMT2A
SCHEMBL10422318 0.76 SLC25A1 (0.66) CA12CA2CA9MEN1KMT2A
SCHEMBL25754684 0.75 HPGD (0.62) CA12CA2CA9MEN1KMT2A

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
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 — — EP disclosed
Send feedback