SCHEMBL9780233

SCHEMBL9780233

CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KCNQ3 O43525 16/20 0.43
KCNQ2 O43526 16/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
SLC6A2 P23975 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
SCHEMBL9757641 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9757456 0.88 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL9780209 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL9422899 0.87 KCNQ3 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL8793858 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL8650194 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL1393108 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL9757465 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
Bromide SCHEMBL9422839 0.86 KCNQ3 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2
SCHEMBL9471606 0.86 KCNQ3 (0.43) SMN1; SMN2MAPTALDH1A1KCNQ3KCNQ2

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