SCHEMBL31023069

SCHEMBL31023069

CC(C)c1cc(Br)cc2c(C(=O)Cl)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ NR4A2 P43354 1/20 0.35
▸ CREBBP Q92793 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31
▸ PRKAG2 Q9UGJ0 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PARP14 Q460N5 1/20 0.30
▸ EIF4A3 P38919 1/20 0.30

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
SCHEMBL31022882 0.88 GABRA1 (0.42) GABRA1GABRB1NR4A2PRKAB2PRKAG1
SCHEMBL31023051 0.85 GABRA1 (0.37) GABRA1GABRB1NR4A2ALDH1A1
SCHEMBL30993004 0.83 CREBBP (0.45) GABRA1GABRB1NR4A2CREBBPKMT2A
SCHEMBL30993042 0.80 NR4A2 (0.39) GABRA1GABRB1NR4A2GABRA3GABRB2
SCHEMBL4805445 0.78 GABRA1 (0.41) GABRA1GABRB1GABRA3GABRB2
SCHEMBL9288270 0.73 AKR1C3 (0.39) GABRA1GABRB1NR4A2PRKAB2PRKAG1
SCHEMBL19328315 0.72 AKR1C4 (0.38) GABRA1GABRB1NR4A2PRKAB2PRKAG1
Lithium SCHEMBL17802201 0.72 AKR1C3 (0.38) GABRA1GABRB1NR4A2PRKAB2PRKAG1
Lithium Ion SCHEMBL19328316 0.71 GABRA1 (0.36) GABRA1GABRB1NR4A2ALDH1A1KMT2A
SCHEMBL4797230 0.71 GABRA1 (0.40) GABRA1GABRB1

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-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 — — WO disclosed
Send feedback