SCHEMBL30906155

SCHEMBL30906155

S=C1CC=Cc2nc3ccccc3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 4/20 0.41
GLA P06280 2/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ATM Q13315 2/20 0.36
KDM4E B2RXH2 8/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL11519732 0.80 NPC1 (0.44) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL29354715 0.80 ALDH1A1 (0.41) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL19291 0.80 NPC1 (0.44) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL6890133 0.79 NPC1 (0.42) ALDH1A1HPGDMAPTGLAACHE
Methane SCHEMBL11523432 0.79 NPC1 (0.42) ALDH1A1HPGDMAPTGLAACHE
Hydrochloric Acid SCHEMBL27346450 0.79 NPC1 (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL4674985 0.78 NPC1 (0.41) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL6748828 0.76 ALDH1A1 (0.37) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL5177973 0.75 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGLAACHE
Anthraquinone SCHEMBL11078992 0.75 NPC1 (0.54) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709853-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2026-03-18 EP disclosed
WO-2024235844-A1 METHODS OF PREVENTING ON-TARGET GENOTOXICITY INDUCED BY NUCLEASES Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-21 WO disclosed
US-11981929-B2 Use of small molecules to enhance MAFA expression in pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2024-05-14 US disclosed