SCHEMBL9517669

SCHEMBL9517669

CCCS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NSD2 O96028 1/20 0.43
GAA P10253 1/20 0.43
PLCG1 P19174 1/20 0.43
DNMT1 P26358 1/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VCAM1 P19320 2/20 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
SCHEMBL11493058 0.89 MAPT (0.55) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL9516555 0.88 POLB (0.59) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL9496798 0.84 CA2 (0.51) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL20982686 0.81 SMN1; SMN2 (0.48) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11508279 0.80 ALDH1A1 (0.48) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL899409 0.78 TDP1 (0.58) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL3862697 0.77 MAPK1 (0.49) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL3862701 0.77 MAPK1 (0.49) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11484396 0.77 VCAM1 (0.65) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11484305 0.76 CA2 (0.64) MAPTALDH1A1TDP1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429619-B1 NEW PROCESS FOR THE PREPARATION OF PHENYL-GUANIDINE DERIVATIVES CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1993-08-25 EP disclosed
WO-1990015795-A1 NEW PROCESS FOR THE PREPARATION OF PHENYL-GUANIDINE DERIVATIVES Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1990-12-27 WO disclosed