SCHEMBL2299104

SCHEMBL2299104

O=C(NN=Cc1ccco1)c1[nH]ncc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.66
NPC1 O15118 7/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
PKM P14618 2/20 0.66
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 3/20 0.56
MAPT P10636 6/20 0.56
POLB P06746 4/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
ALPI P09923 2/20 0.55
ALPG P10696 2/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 1/20 0.55
PSMD14 O00487 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
AHR P35869 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL2299099 1.00 RAB9A (0.66) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL8291968 0.79 KMT2A (1.00) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL11887827 0.77 RAB9A (0.81) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL2296888 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL2296897 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL8292186 0.74 CYP1A2 (0.71) PKMKMT2AALDH1A1CYP1A2MAPT
SCHEMBL30808832 0.72 NPC1 (0.62) RAB9ANPC1SMN1; SMN2PKMKMT2A
SCHEMBL1562660 0.72 CYP1A2 (0.76) RAB9ANPC1PKMKMT2AALDH1A1
SCHEMBL6635372 0.72 CYP1A2 (0.76) RAB9ANPC1PKMKMT2AALDH1A1
SCHEMBL1562661 0.72 CYP1A2 (0.76) RAB9ANPC1PKMKMT2AALDH1A1

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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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