SCHEMBL23020157

SCHEMBL23020157

CCCCc1ncccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KAT2B Q92831 1/20 0.38
NPC1 O15118 2/20 0.37
CASP3 P42574 2/20 0.37
RAB9A P51151 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL31190150 0.94 TDP1 (0.49) L3MBTL1TDP1KAT2BTRPV1
SCHEMBL28876834 0.93 TDP1 (0.47) L3MBTL1TDP1KAT2BTRPV1LMNA
SCHEMBL28219671 0.93 TDP1 (0.47) L3MBTL1TDP1KAT2BTRPV1LMNA
Hydrochloric Acid SCHEMBL27533484 0.91 TDP1 (0.46) L3MBTL1TDP1KAT2BTRPV1LMNA
SCHEMBL6293250 0.90 L3MBTL1 (0.43) L3MBTL1TDP1KAT2BNPC1CASP3
Hydrochloric Acid SCHEMBL11410615 0.90 L3MBTL1 (0.37) L3MBTL1TDP1NPC1GRM5SMN1; SMN2
SCHEMBL13073704 0.89 GRM5 (0.43) L3MBTL1TDP1KAT2BNPC1CASP3
SCHEMBL13964173 0.88 GRM5 (0.41) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL29031761 0.87 TDP1 (0.49) L3MBTL1TDP1KAT2BCYP3A4CYP2D6
SCHEMBL11410616 0.85 L3MBTL1 (0.34) L3MBTL1TDP1NPC1PDE4APDE4B

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-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 EP disclosed