SCHEMBL11327581

SCHEMBL11327581

O=C(O)Cc1nc2cc(S(=O)(=O)c3ccccc3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1B1 P15121 5/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C9 P11712 2/20 0.40
NAMPT P43490 2/20 0.40
MEN1 O00255 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CYP1A2 P05177 1/20 0.39
AHR P35869 1/20 0.39
UTRN P46939 1/20 0.39

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
SCHEMBL11831569 0.87 LIPG (0.45) GAAKMT2AKDM4ECACNA1BAPBA1
SCHEMBL11336489 0.78 AKR1B1 (0.61) GAAKDM4EAKR1B1NR4A1NR4A2
SCHEMBL31614347 0.77 NPC1 (0.61) GAAKMT2ASMN1; SMN2AKR1B1NR4A1
SCHEMBL3112570 0.77 NPC1 (0.61) GAAKMT2ASMN1; SMN2AKR1B1NR4A1
Water SCHEMBL21626175 0.75 NPC1 (0.59) GAAKMT2ASMN1; SMN2AKR1B1NR4A1
SCHEMBL11329003 0.75 GAA (0.51) GAAAKR1B1NR4A1NR4A2NR4A3
SCHEMBL9074105 0.75 AKR1B1 (0.58) GAAKMT2AKDM4ESMN1; SMN2AKR1B1
SCHEMBL22371424 0.75 GAA (0.57) GAAKMT2ASMN1; SMN2AKR1B1NR4A1
SCHEMBL9073764 0.75 GAA (0.61) GAAKMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL11199551 0.75 RAB9A (0.58) GAAKMT2AKDM4ESMN1; SMN2AKR1B1

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-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed