SCHEMBL31147795

SCHEMBL31147795

Cc1n[nH]c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KHK P50053 1/20 0.49
▸ ULK1 O75385 1/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ CASP6 P55212 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL12286618 0.80 JAK2 (0.63) SMN1; SMN2KMT2APOLBMEN1ULK1
SCHEMBL22445917 0.80 ULK1 (0.48) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL8769868 0.79 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL22445828 0.77 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL1973642 0.77 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3147407 0.76 POLB (0.60) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL21254596 0.76 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL18167981 0.76 JAK2 (0.52) ULK1JAK2JAK1LRRK2
SCHEMBL1666122 0.75 RAB9A (0.80) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL22445881 0.75 LRRK2 (0.58) NPC1RAB9ASMN1; SMN2LRRK2

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
CN-118984827-A GLP-1R modulating compounds 歌礼生物科技(杭州)有限公司 2024-11-19 — — CN disclosed
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