SCHEMBL29035849

SCHEMBL29035849

Cc1ccc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.57
NR1H3 Q13133 5/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
STAT1 P42224 1/20 0.49

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
SCHEMBL13921711 0.98 NR1H2 (0.55) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13936046 0.91 SMN1; SMN2 (0.56) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13936045 0.91 SMN1; SMN2 (0.56) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL2339443 0.91 SMN1; SMN2 (0.59) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13921742 0.88 NR1H3 (0.55) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13921717 0.88 NR1H3 (0.55) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13921714 0.88 NR1H3 (0.58) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13130389 0.87 NR1H3 (0.49) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13130377 0.87 NR1H3 (0.49) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL13130368 0.86 NPC1 (0.49) NR1H2NR1H3NPC1RAB9ASMN1; SMN2

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
CN-115532318-B MOF-supported metal catalyst and preparation method and application thereof 江南大学 2023-07-21 CN disclosed
CN-115532318-A MOF-loaded metal catalyst and preparation method and application thereof 江南大学 2022-12-30 CN disclosed