SCHEMBL31087014

SCHEMBL31087014

Cc1cn(-c2ccc(Br)cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.38
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GBA1 P04062 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL6127814 0.81 CYP2E1 (0.46) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL27381147 0.81 GRIN2D (0.38) ALDH1A1GBA1GRIN2DGRIN3BGRIN1
SCHEMBL11962606 0.79 CYP2E1 (0.44) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL22199018 0.79 CYP2E1 (0.44) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL28674063 0.79 PSEN1 (0.48) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL2899675 0.79 GBA1 (0.37) ALDH1A1GBA1GRIN2DGRIN3BGRIN1
SCHEMBL24780239 0.76 CYP1A2 (0.42) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124272 0.76 CYP2E1 (0.41) CYP2E1CYP2A6ALDH1A1PSEN1PSEN2
SCHEMBL4666728 0.76 CYP3A4 (0.56) CYP2E1CYP2A6GAAPSEN1PSEN2
SCHEMBL7881481 0.76 KDM4E (0.47) CYP2E1CYP2A6GAAALDH1A1LMNA

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
EP-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed