SCHEMBL29067197

SCHEMBL29067197

CCC(Cc1ccccn1)c1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ METAP2 P50579 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ PTPRA P18433 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42

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
SCHEMBL4310322 0.84 PKM (0.49) PKMMAPTKDM4EPOLBMETAP2
SCHEMBL29067188 0.80 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL13508620 0.79 HDAC8 (0.62) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL29067199 0.78 GRIN2D (0.46) MAPTMEN1KMT2AALDH1A1PTPRA
SCHEMBL29067198 0.76 GRIN2D (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29067186 0.76 ALDH1A1 (0.51) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL29067202 0.75 MEN1 (0.46) MEN1KMT2APTPRA
SCHEMBL7834117 0.75 PKM (0.60) PKMMAPTKDM4EPOLBMETAP2
SCHEMBL1732629 0.74 PARP10 (0.69) PKMMAPTKDM4EPOLBMEN1
SCHEMBL509956 0.74 PKM (0.59) PKMMAPTKDM4EPOLBMETAP2

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-116715622-A Synthesis method of 2- (2-arylbutyl) pyridine compound 河南大学 2023-09-08 — — CN disclosed
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