SCHEMBL30961905

SCHEMBL30961905

O=c1cc(N2Cc3ccccc3C2)cn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL30961923 0.75 POLB (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1588164 0.75 POLB (0.50) TIPARPALDH1A1MAPTMEN1KMT2A
SCHEMBL5757671 0.72 CHRNB2 (0.53) —
SCHEMBL5759446 0.71 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4812347 0.71 CHRNB2 (0.51) —
SCHEMBL31574277 0.71 SYK (0.41) KDM4E
SCHEMBL21521967 0.68 TIPARP (1.00) TIPARPALDH1A1POLB
SCHEMBL21521232 0.68 TIPARP (0.68) TIPARPALDH1A1HPGD
SCHEMBL30694880 0.68 MAPT (0.43) ALDH1A1MAPTKMT2AKDM4ERAB9A
SCHEMBL30694876 0.68 CHRNB4 (0.36) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 — — EP claimed
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