SCHEMBL24523802

SCHEMBL24523802

Cc1c(-c2ccccc2)c2c3ccc(C#N)cc3n3c4cc(C#N)ccc4c(c1-c1ccccc1)c23

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FASN P49327 1/20 0.38
AR P10275 1/20 0.36
CSF1R P07333 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 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
SCHEMBL24523721 0.92 ALDH1A1 (0.41) DPP4ALDH1A1ATMMEN1KMT2A
SCHEMBL24523723 0.90 MEN1 (0.44) DPP4MEN1KMT2AFASNCSF1R
SCHEMBL24523799 0.83 PTGDR2 (0.41) DPP4ALDH1A1ATMMEN1KMT2A
SCHEMBL24523732 0.82 CHEK1 (0.36) ALDH1A1
SCHEMBL24523795 0.81 PTGDR2 (0.39) ALDH1A1ATMMEN1KMT2AFASN
SCHEMBL24601758 0.79 CA1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL24523847 0.79 CA1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL24523798 0.78 PTGDR2 (0.42) DPP4ALDH1A1MEN1KMT2AFASN
SCHEMBL20821364 0.77 MEN1 (0.40) DPP4MEN1KMT2AFASN
SCHEMBL24523719 0.77 MEN1 (0.39) DPP4MEN1KMT2AFASNGABRA1

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-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed