SCHEMBL9780367

SCHEMBL9780367

N=c1sc2cc(OC(F)(F)F)ccc2n1CCSCc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.35
KCNQ2 O43526 7/20 0.35
CETP P11597 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
GNRHR P30968 1/20 0.33
EPHX2 P34913 1/20 0.33
GLS O94925 3/20 0.32
RUNX1 Q01196 1/20 0.32
CBFB Q13951 1/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9780277 0.84 KCNQ3 (0.36) KCNQ3KCNQ2KMT2AALDH1A1SMN1; SMN2
SCHEMBL9780285 0.83 NPC1 (0.38) KCNQ3KCNQ2MEN1KMT2AALDH1A1
SCHEMBL9757641 0.80 SMN1; SMN2 (0.41) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
SCHEMBL8650194 0.80 SMN1; SMN2 (0.41) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9757456 0.79 SMN1; SMN2 (0.40) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9780264 0.79 SMN1; SMN2 (0.38) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9757393 0.79 SMN1; SMN2 (0.40) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL9757460 0.79 SMN1; SMN2 (0.41) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
SCHEMBL9780333 0.79 KCNQ3 (0.41) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9422823 0.78 KCNQ3 (0.38) KCNQ3KCNQ2ALDH1A1SMN1; SMN2MAPT

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-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed
US-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 US disclosed