SCHEMBL29943975

SCHEMBL29943975

COC(=O)c1cccc(N2CCN(c3cc(Cl)nnc3N)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 6/20 0.44
▸ GAA P10253 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL23630487 1.00 NPC1 (0.54) NPC1KDM4EMAPTGAATSHR
SCHEMBL23630485 0.86 ALDH1A1 (0.55) KDM4EMAPTGAASMN1; SMN2HPGD
SCHEMBL29944092 0.86 ALDH1A1 (0.55) KDM4EMAPTGAASMN1; SMN2HPGD
SCHEMBL30796963 0.83 SMARCA2 (0.46) NPC1KDM4EMAPTGAAMAPK1
SCHEMBL29944012 0.81 PIK3CA (0.47) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL23630466 0.81 PIK3CA (0.47) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL26154642 0.77 NPC1 (0.61) NPC1KDM4EMAPTGAATSHR
SCHEMBL1490676 0.75 PLOD2 (0.60) NPC1KDM4EGAAMAPK1TP53
SCHEMBL5743752 0.75 ALDH1A1 (0.66) NPC1KDM4EMAPTGAATSHR
SCHEMBL31385756 0.74 HSP90AA1 (0.38) NPC1KDM4EMAPTPKMALOX15

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-4087658-A1 SMARCA2-VHL DEGRADERS Amgen Inc. (US) 2022-11-16 — — EP disclosed
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