SCHEMBL25520946

SCHEMBL25520946

CCc1cccc2cc(F)c(O)nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ DAO P14920 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TERT O14746 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ KAT6A Q92794 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
SCHEMBL12565004 0.79 TERT (0.50) GABRA1GABRB2DAOTERTMEN1
SCHEMBL15119498 0.76 MEN1 (0.53) GABRA1GABRB2DAOKDM4ETERT
SCHEMBL25519641 0.72 GABRA1 (0.44) GABRA1GABRB2KDM4E
SCHEMBL10496032 0.71 KMT2A (0.44) GABRA1GABRB2DAOKDM4ETERT
SCHEMBL7566755 0.70 TERT (0.46) GABRA1GABRB2TERTPARP1KAT6A
SCHEMBL27416308 0.69 PARP1 (0.61) KDM4ETERTPARP1
SCHEMBL23753971 0.68 TERT (0.38) GABRA1GABRB2DAOTERTMEN1
SCHEMBL14047371 0.68 DRD4 (0.43) KDM4EMEN1KMT2APARP1ATM
SCHEMBL28827733 0.68 KMT2A (0.53) GABRA1GABRB2DAOTERTMEN1
SCHEMBL3988403 0.67 GABRA1 (0.70) GABRA1GABRB2

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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