SCHEMBL22862932

SCHEMBL22862932

Clc1ccccc1-c1c(C2CC2)ncn1Cc1ccc2c(c1)NCN2C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL29490180 0.77 AKT1 (0.39) DPP4
SCHEMBL22862829 0.77 AKT1 (0.39) DPP4
SCHEMBL22862827 0.76 CYP11B1 (0.40) DPP4
SCHEMBL29490170 0.76 CYP11B1 (0.40) DPP4
SCHEMBL22862467 0.73 HTT (0.43) DPP4
SCHEMBL24704178 0.72 HDAC1 (0.35) RAD52MDM4TP53MDM2DPP4
SCHEMBL29490210 0.72 POLB (0.49) RAD52TP53
SCHEMBL22862547 0.72 POLB (0.49) RAD52TP53
SCHEMBL29490233 0.72 HDAC1 (0.35) RAD52MDM4TP53MDM2DPP4
SCHEMBL22862437 0.72 CDK9 (0.40) RAD52DPP4

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-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO disclosed
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