SCHEMBL29930766

SCHEMBL29930766

COc1ccc(CN(C)c2cc(Cl)nc3c(NC(=O)NCCOc4cccc(N)c4)cnn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.40
▸ KLKB1 P03952 4/20 0.38
▸ CASR P41180 2/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL23327453 1.00 LMNA (0.42) LMNATRPV1KLKB1CASRHCAR2
SCHEMBL23351083 0.93 LMNA (0.47) LMNATRPV1CASRHCAR2KMT2A
SCHEMBL23327491 0.90 TRPV1 (0.46) TRPV1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL23327703 0.82 KDM4E (0.36) TRPV1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL23327537 0.81 NR3C2 (0.38) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL23327500 0.75 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1
SCHEMBL23351205 0.74 ALDH1A1 (0.35) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL26098304 0.73 PTPN1 (0.49) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL21811192 0.69 KDM4E (0.44) LMNAKDM4EALDH1A1
SCHEMBL23327454 0.68 MAPT (0.42) LMNAALDH1A1

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-4054581-A1 TYK2 PSEUDOKINASE LIGANDS Ventyx Biosciences, Inc. (US) 2022-09-14 — — EP disclosed
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