SCHEMBL24523743

SCHEMBL24523743

Cc1cccc(C)c1-c1cc2c3ccc(C#N)cc3n3c4cc(C#N)ccc4c(c1)c23

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
CHEK1 O14757 1/20 0.37
AR P10275 3/20 0.36
DPP4 P27487 2/20 0.34
LCK P06239 1/20 0.34
ENPP3 O14638 1/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
IDO1 P14902 1/20 0.33
NRP1 O14786 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL24523831 0.83 ENPP3 (0.37) CHEK1ENPP3CDC7CDK2
SCHEMBL24523736 0.83 DPP4 (0.35) RXFP1CHEK1DPP4ENPP3
SCHEMBL24523734 0.81 MEN1 (0.40) DPP4ENPP3
SCHEMBL24523741 0.81 ALDH1A1 (0.41) RXFP1CHEK1ARENPP3ALDH1A1
SCHEMBL24523719 0.80 MEN1 (0.39) DPP4ENPP3
SCHEMBL24523801 0.80 EGLN2 (0.34) RXFP1CHEK1ARDPP4LCK
SCHEMBL21710573 0.79 PTGER4 (0.36) RXFP1ENPP3ALDH1A1
SCHEMBL24523722 0.78 MEN1 (0.38) DPP4ENPP3
SCHEMBL24523724 0.78 GABRA1 (0.39) CHEK1ENPP3
SCHEMBL24523804 0.78 GABRA1 (0.39) CHEK1ENPP3

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