SCHEMBL29944092

SCHEMBL29944092

Nc1nnc(Cl)cc1N1CCN(c2cccc(C(=O)O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KMO O15229 1/20 0.51
▸ TTR P02766 1/20 0.47
▸ ENPP2 Q13822 6/20 0.47
▸ DHFR P00374 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ MAOA P21397 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
SCHEMBL23630485 1.00 ALDH1A1 (0.55) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL23630487 0.86 NPC1 (0.54) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL29943975 0.86 NPC1 (0.54) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL23630405 0.80 PIK3CA (0.54) ALDH1A1GAAKDM4EHSD17B10L3MBTL1
SCHEMBL29943886 0.80 PIK3CA (0.54) ALDH1A1GAAKDM4EHSD17B10L3MBTL1
SCHEMBL23630324 0.77 SMO (0.45) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL23630521 0.77 PRKCQ (0.40) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL32688379 0.75 ALDH1A1 (0.80) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL26154653 0.74 ALDH1A1 (0.60) ALDH1A1HPGDMEN1GAAKMT2A
SCHEMBL23630386 0.73 KDM4E (0.36) ALDH1A1GAAKDM4EHSD17B10MAPT

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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