SCHEMBL24737804

SCHEMBL24737804

Clc1ccc(-n2cnnn2)c(C2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
F2 P00734 3/20 0.47
F11 P03951 11/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL15790774 0.82 POLB (0.40) NOTUMKDM4EALDH1A1
SCHEMBL11117017 0.77 NOTUM (0.56) NOTUMF2KDM4EALDH1A1
SCHEMBL29757989 0.74 NOTUM (0.53) NOTUMF2KDM4EALDH1A1LMNA
SCHEMBL30136136 0.74 NOTUM (0.53) NOTUMF2F11KDM4EALDH1A1
SCHEMBL29958128 0.74 NOTUM (0.53) NOTUMF2F11KDM4EALDH1A1
SCHEMBL23466554 0.74 NOTUM (0.53) NOTUMF2KDM4EALDH1A1LMNA
SCHEMBL3009848 0.74 NOTUM (0.53) NOTUMF2F11KDM4EALDH1A1
SCHEMBL8177591 0.74 NOTUM (0.53) NOTUMF2F11KDM4EALDH1A1
SCHEMBL16615357 0.74 NOTUM (0.53) NOTUMF2KDM4EALDH1A1LMNA
SCHEMBL478475 0.74 NOTUM (0.53) NOTUMF2F11KDM4EALDH1A1

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
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed