SCHEMBL6780480

SCHEMBL6780480

Fc1ccc(Oc2ccc(-c3cscn3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.47
SCN4A P35499 2/20 0.42
HSPB1 P04792 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ERBB2 P04626 1/20 0.36
PNLIP P16233 1/20 0.35

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
SCHEMBL15384455 0.80 ALDH1A1 (0.58) SCN9AALDH1A1GAAMAPTPTGES
SCHEMBL14754324 0.77 RAB9A (0.47) SCN9AALDH1A1MEN1NPC1RAB9A
SCHEMBL28273947 0.75 RAB9A (0.45) SCN9AALDH1A1GAANPC1RAB9A
SCHEMBL1386893 0.75 SCN4A (0.42) SCN9ASCN4AHSPB1ALDH1A1GAA
SCHEMBL6774958 0.74 SCN4A (0.43) SCN9ASCN4AHSPB1ALDH1A1GAA
Hydrochloric Acid SCHEMBL3366879 0.74 SCN4A (0.41) SCN9ASCN4AHSPB1ALDH1A1GAA
SCHEMBL6514066 0.72 ALPL (0.43) SCN9AALDH1A1MEN1NPC1RAB9A
SCHEMBL27560773 0.72 PTGES (0.46) SCN9ASCN4AALDH1A1MAPTPTGES
SCHEMBL14320585 0.71 CHEK2 (0.42) SCN9AALDH1A1MEN1NPC1RAB9A
SCHEMBL14754382 0.71 KMO (0.47) SCN9AMEN1KMT2AMETMETAP2

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
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed