SCHEMBL9811404

SCHEMBL9811404

CC(=O)Nc1cc([N+](=O)[O-])ccc1SCCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
CYP19A1 P11511 1/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
GLA P06280 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CRHBP P24387 1/20 0.43
CASP3 P42574 1/20 0.43
CRHR2 Q13324 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL8921259 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTCYP19A1CYP1A2
SCHEMBL9233018 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL6696208 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTCYP19A1CYP1A2
SCHEMBL832001 0.76 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1MAPTCYP1A2GAA
SCHEMBL9659388 0.75 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTCYP1A2GAA
SCHEMBL6694815 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTCYP19A1CYP1A2
SCHEMBL3712418 0.75 CA2 (0.56) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL9445656 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1CYP19A1CYP1A2GAA
SCHEMBL499483 0.75 GAA (0.56) ALDH1A1MAPTGAAHTTMEN1
SCHEMBL4326710 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTCYP19A1CYP1A2

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
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed