SCHEMBL2456050

SCHEMBL2456050

CC1([N+](=O)[O-])C=CC=C(C(N)=O)C1c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.33
GUSB P08236 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 2/20 0.30
OPRK1 P41145 1/20 0.30
ADORA2B P29275 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2452840 0.79 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1HPGDKMT2A
SCHEMBL6369542 0.65 TP53 (0.30)
SCHEMBL787114 0.64
SCHEMBL2636758 0.59
SCHEMBL11742503 0.59
SCHEMBL7860948 0.59
SCHEMBL7559776 0.58 CASP6 (0.30)
SCHEMBL3908898 0.58
SCHEMBL5933926 0.58
SCHEMBL7265874 0.57 MAPT (0.46) ALDH1A1MAPTL3MBTL1HPGDGUSB

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
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed
EP-1216245-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-06-26 EP disclosed
WO-2001023382-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed