SCHEMBL6534946

SCHEMBL6534946

CS(=O)(=O)c1ccc(NN)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 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 SCHEMBL6512600 0.98 GRM4 (0.45) GRM4MAPTKDM4ENPC1POLB
SCHEMBL31623387 0.85 MAPT (0.47) GRM4MAPTKDM4ENPC1POLB
SCHEMBL11680691 0.83 CA1 (0.48) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL3244814 0.82 ALDH1A1 (0.43) MAPTKDM4ENPC1POLBRAB9A
Hydrochloric Acid SCHEMBL6517594 0.81 CA1 (0.47) MAPTKDM4ENPC1POLBRAB9A
SCHEMBL8859942 0.80 HSD11B1 (0.56) GRM4NPC1ALDH1A1GAACA2
SCHEMBL6810327 0.79 ALDH1A1 (0.62) MAPTKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL30712531 0.78 ALDH1A1 (0.47) GRM4MAPTKDM4EALDH1A1GAA
SCHEMBL27213996 0.78 ALDH1A1 (0.47) GRM4MAPTKDM4EALDH1A1GAA
SCHEMBL6514511 0.78 GRM4 (0.45) GRM4MAPTKDM4EALDH1A1L3MBTL1

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-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed