SCHEMBL29157654

SCHEMBL29157654

CC(C)[C@@H]1CN(c2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.45
▸ ADRB1 P08588 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ MAPT P10636 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ LMNA P02545 4/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAD51 Q06609 3/20 0.39
▸ RAD1 O60671 1/20 0.39
▸ BCL2A1 Q16548 1/20 0.39
▸ HTT P42858 6/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ PANK3 Q9H999 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DRD2 P14416 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
SCHEMBL29157655 1.00 NOTUM (0.45) NOTUMADRB1DPP4MAPTSMN1; SMN2
SCHEMBL29914582 0.88 RAD51 (0.43) NOTUMRAD51DRD4
SCHEMBL29914426 0.88 RAD51 (0.43) NOTUMRAD51DRD4
SCHEMBL24680805 0.88 RAD51 (0.43) NOTUMRAD51DRD4
SCHEMBL24680971 0.88 RAD51 (0.43) NOTUMRAD51DRD4
SCHEMBL24681541 0.88 RAD51 (0.43) NOTUMRAD51DRD4
SCHEMBL24681245 0.84 NOTUM (0.41) NOTUMADRB1MAPTSMN1; SMN2RAD51
SCHEMBL24681614 0.84 NOTUM (0.41) NOTUMADRB1MAPTSMN1; SMN2RAD51
SCHEMBL24681247 0.84 NOTUM (0.41) NOTUMADRB1MAPTSMN1; SMN2RAD51
SCHEMBL8643271 0.77 LMNA (0.47) NOTUMDPP4MAPTSMN1; SMN2LMNA

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-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
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