SCHEMBL8426004

SCHEMBL8426004

Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MCL1 Q07820 1/20 0.53
GUSB P08236 1/20 0.51
IDH1 O75874 5/20 0.51
NHERF1 O14745 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
PPIA P62937 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CCNA1 P78396 1/20 0.48
MAPT P10636 1/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46

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
SCHEMBL8422362 0.89 SMN1; SMN2 (0.72) GAASMN1; SMN2MCL1GUSBIDH1
SCHEMBL10576829 0.85 SMN1; SMN2 (0.54) GAASMN1; SMN2IDH1MEN1KMT2A
SCHEMBL27523257 0.82 GUSB (0.48) GAASMN1; SMN2MCL1GUSBIDH1
SCHEMBL8425835 0.80 MEN1 (0.56) GAASMN1; SMN2GUSBMEN1KMT2A
SCHEMBL12127309 0.79 ALDH1A1 (0.60) KMT2ALMNAMAPT
SCHEMBL15658306 0.78 GUSB (0.56) GAASMN1; SMN2GUSBMEN1KMT2A
SCHEMBL7015594 0.78 GUSB (0.66) GAASMN1; SMN2MCL1GUSBMEN1
SCHEMBL15661006 0.78 ALDH1A1 (0.61) GAASMN1; SMN2GUSBMEN1KMT2A
SCHEMBL7580547 0.77 IDH1 (0.71) SMN1; SMN2MCL1IDH1NHERF1CDK1
SCHEMBL29041041 0.77 ALB (0.57) GAASMN1; SMN2GUSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949238-A1 SUBSTITUTED PROPIONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed