SCHEMBL9739873

SCHEMBL9739873

CCN(c1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1cccs1)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.36
ALDH1A1 P00352 9/20 0.36
HPGD P15428 5/20 0.35
MAPT P10636 3/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
GAA P10253 2/20 0.34
GBA1 P04062 2/20 0.34
TP53 P04637 1/20 0.34
SCN9A Q15858 1/20 0.34
CA2 P00918 3/20 0.33
LMNA P02545 3/20 0.33
CA9 Q16790 2/20 0.33
USP2 O75604 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BLM P54132 1/20 0.33
SLC12A2 P55011 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9736980 0.86 CA2 (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9736354 0.85 PTGES (0.36) KDM4EALDH1A1HPGDMAPTCA2
SCHEMBL9737103 0.82 CA2 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9738317 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL9739881 0.73 SCN1A (0.40) KDM4EALDH1A1CA2CA9CA4
SCHEMBL9736362 0.73 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL9737828 0.71 ALOX5 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11160672 0.71 PKM (0.33) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL11192732 0.69 KDM4E (0.59) KDM4EALDH1A1HPGDMAPTCA2
SCHEMBL11165688 0.68 CISD1 (0.49) KDM4EALDH1A1HPGDSCN9ACA2

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
US-5145867-A NAPHTHYLALKYLAMINO-SUBSTITUTED SULFAMOYLBENZOIC ACID DERIVATIVES, AND THE USE THEREOF AS MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed