SCHEMBL9320641

SCHEMBL9320641

CCNS(=O)(=O)c1cc(N)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
VCAM1 P19320 1/20 0.47
LMNA P02545 1/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
GLA P06280 2/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL9320070 0.81 BRD4 (0.51) GAAKDM4EALDH1A1LMNAGLA
SCHEMBL9322517 0.81 KMT2A (0.56) MEN1KMT2AALDH1A1VCAM1LMNA
SCHEMBL9321470 0.81 GSTO1 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL30516775 0.81 GSTO1 (0.60) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL9320638 0.80 GAA (0.49) GAAKDM4EALDH1A1VCAM1LMNA
SCHEMBL22409232 0.80 ALDH1A1 (0.48) GAAKDM4EALDH1A1GLARAB9A
SCHEMBL9444714 0.78 CYP2D6 (0.59) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL10694360 0.78 ALDH1A1 (0.50) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL17507368 0.78 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12031543 0.76 CYP3A4 (0.50) MEN1KMT2AALDH1A1MCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372315-B1 Reactive dyes based on copper formazane BASF AG (DE) 1994-01-26 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed