SCHEMBL9320552

SCHEMBL9320552

CCNS(=O)(=O)c1cccc([NH])c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
BRD4 O60885 3/20 0.47
VCAM1 P19320 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.42
TNNI3K Q59H18 1/20 0.42
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6151748 0.81 LMNA (0.57) ALDH1A1KMT2ASMN1; SMN2CA9LMNA
SCHEMBL31404044 0.80 KMT2A (0.77) ALDH1A1KMT2AMEN1
SCHEMBL350324 0.80 KMT2A (0.77) ALDH1A1KMT2AMEN1
SCHEMBL9321474 0.79 L3MBTL1 (0.52) KMT2ASMN1; SMN2CA1CA2CA9
SCHEMBL9320509 0.79 CYP2C19 (0.63) ALDH1A1KMT2ABRD4SMN1; SMN2LMNA
SCHEMBL922755 0.79 CYP19A1 (0.66) ALDH1A1KMT2ABRD4SMN1; SMN2CA1
SCHEMBL29403896 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ABRD4VCAM1CYP2C9
SCHEMBL8377902 0.79 PGR (0.56) VCAM1LMNA
SCHEMBL17513498 0.79 ATM (0.60) ALDH1A1KMT2ABRD4SMN1; SMN2CYP19A1
SCHEMBL19931109 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ABRD4VCAM1CYP2C9

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 6 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-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 EP disclosed