SCHEMBL4237394

SCHEMBL4237394

CCCC[S+](CCCC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
DNM1 Q05193 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
Hydrochloric Acid SCHEMBL8730207 0.98 TP53 (0.42) TP53SMN1; SMN2SIGMAR1DNM1MEN1
SCHEMBL9120855 0.96 TP53 (0.42) TP53SMN1; SMN2SIGMAR1DNM1MEN1
Water SCHEMBL9247303 0.92 DNM1 (0.43) TP53SMN1; SMN2SIGMAR1DNM1MEN1
Hydrochloric Acid SCHEMBL9343453 0.92 MEN1 (0.46) TP53SMN1; SMN2SIGMAR1DNM1MEN1
SCHEMBL8757335 0.92 DNM1 (0.46) TP53SMN1; SMN2SIGMAR1DNM1MEN1
Bromide SCHEMBL8756273 0.90 DNM1 (0.47) TP53SMN1; SMN2SIGMAR1DNM1MEN1
SCHEMBL4235702 0.86 TP53 (0.46) TP53SMN1; SMN2SIGMAR1DNM1
SCHEMBL11504622 0.80 EPHX2 (0.37) TP53SMN1; SMN2DNM1MEN1KMT2A
SCHEMBL11505716 0.80 EPHX2 (0.37) TP53SMN1; SMN2DNM1MEN1KMT2A
SCHEMBL7106497 0.79 CYP1A2 (0.44) TP53SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US disclosed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US disclosed