SCHEMBL24523799

SCHEMBL24523799

N#Cc1ccc2c3c(-c4ccccc4)cc(-c4ccccc4)c4c5ccc(C#N)cc5n(c2c1)c34

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
CYP19A1 P11511 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
METAP2 P50579 1/20 0.37
FASN P49327 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
G6PD P11413 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL24523795 0.97 PTGDR2 (0.39) PTGDR2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL24523798 0.89 PTGDR2 (0.42) PTGDR2CYP19A1MEN1KMT2AALDH1A1
SCHEMBL24523723 0.87 MEN1 (0.44) PTGDR2CYP19A1MEN1KMT2AFASN
SCHEMBL24523802 0.83 DPP4 (0.39) MEN1KMT2AALDH1A1ATMFASN
SCHEMBL24523721 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1ATMFASN
SCHEMBL24523847 0.81 CA1 (0.40) MEN1KMT2AALDH1A1KDM4EG6PD
SCHEMBL24601758 0.81 CA1 (0.40) MEN1KMT2AALDH1A1KDM4EG6PD
SCHEMBL24523765 0.81 PTGDR2 (0.40) PTGDR2CYP19A1MEN1KMT2AMETAP2
SCHEMBL24523800 0.81 TNKS (0.41) CYP19A1MEN1KMT2AALDH1A1ATM
SCHEMBL24523719 0.79 MEN1 (0.39) PTGDR2CYP19A1MEN1KMT2AFASN

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