SCHEMBL2296897

SCHEMBL2296897

O=C(NN=Cc1cccs1)c1[nH]ncc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 1.00
NPC1 O15118 11/20 1.00
PKM P14618 3/20 1.00
SMN1; SMN2 Q16637 9/20 0.66
MAPT P10636 7/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 3/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.55
ALPI P09923 2/20 0.55
ALPG P10696 2/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
PSMD14 O00487 1/20 0.55
CASP3 P42574 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
ALPL P05186 1/20 0.55
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2296888 1.00 RAB9A (1.00) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL11887827 0.77 RAB9A (0.81) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL2299104 0.76 RAB9A (0.66) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL2299099 0.76 RAB9A (0.66) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL30808831 0.72 NPC1 (0.62) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL12443187 0.72 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL18719858 0.72 POLB (0.73) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL28478041 0.72 POLB (0.73) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL9656857 0.71 NPC1 (0.69) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL9656862 0.71 NPC1 (0.69) RAB9ANPC1PKMSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO disclosed