SCHEMBL9780285

SCHEMBL9780285

N=c1sc2cc(OC(F)(F)F)ccc2n1CCSc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNQ3 O43525 10/20 0.36
KCNQ2 O43526 10/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GAA P10253 1/20 0.34

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 0.89 KCNQ3 (0.36) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9780188 0.85 KCNQ3 (0.36) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
SCHEMBL9780333 0.85 KCNQ3 (0.41) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
Hydrochloric Acid SCHEMBL9780239 0.84 KCNQ3 (0.40) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
Bromide SCHEMBL9757460 0.83 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
SCHEMBL9780367 0.83 KCNQ3 (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1393108 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
Hydrochloric Acid SCHEMBL6255293 0.81 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
SCHEMBL9757641 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTKCNQ3
SCHEMBL8650194 0.80 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTKCNQ3

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