SCHEMBL7766744

SCHEMBL7766744

Nc1cc(NC(=O)C(Br)CBr)ccc1OS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
ACP1 P24666 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN13 Q12923 1/20 0.35
SSU72 Q9NP77 1/20 0.35
CASR P41180 1/20 0.33
CA5A P35218 1/20 0.33
P2RX4 Q99571 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 4/20 0.32

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
SCHEMBL1011939 0.82 NPC1 (0.37) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL30967742 0.82 NPC1 (0.37) TDP1NPC1RAB9AALDH1A1KMT2A
SCHEMBL7731859 0.78 CTDSP1 (0.45) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL9647393 0.72 MAPT (0.52) TDP1NPC1RAB9AKDM4ETP53
SCHEMBL30967743 0.71 GRIK1 (0.43) SMN1; SMN2ALDH1A1KMT2AACP1CASR
SCHEMBL30967744 0.71 GRIK1 (0.43) SMN1; SMN2ALDH1A1KMT2AACP1CASR
SCHEMBL11151982 0.70 ACP1 (0.35) ALDH1A1KMT2AACP1PTPN12CASR
SCHEMBL12830031 0.70 CNR2 (0.42) KDM4ESMN1; SMN2ALDH1A1KMT2ACA1
SCHEMBL12829324 0.70 ALDH1A1 (0.47) TP53ALDH1A1KMT2AACP1CASR
SCHEMBL9647340 0.70 DDX3X (0.57) TDP1NPC1KDM4ESMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803543-B1 Fiber-reactive dyes, preparation and use thereof CIBA SC HOLDING AG (CH) 2001-03-07 EP disclosed
EP-0812886-B1 Reactive dyestuffs, their preparation and use thereof CIBA SC HOLDING AG (CH) 2001-02-21 EP disclosed
EP-0812886-A1 Reactive dyestuffs, their preparation and use thereof Ciba SC Holding AG (CH) 1997-12-17 EP disclosed
EP-0803543-A1 Fiber-reactive dyes, preparation and use thereof Ciba SC Holding AG (CH) 1997-10-29 EP disclosed