SCHEMBL10851986

SCHEMBL10851986

Cc1c(Br)cc(C#N)c(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ADRB2 P07550 5/20 0.36
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GRM6 O15303 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 5/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
STAT3 P40763 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL11040427 0.84 KDM4E (0.41) KDM4EADRB2GRM6ALDH1A1HPGD
SCHEMBL31371225 0.79 KDM4E (0.38) KDM4EADRB2RXFP1SMN1; SMN2GRM6
SCHEMBL11039790 0.76 KDM4E (0.41) KDM4EGRM6ALDH1A1HPGDLMNA
SCHEMBL10860704 0.74 KMT2A (0.35) KDM4ERXFP1SMN1; SMN2GRM6ALDH1A1
SCHEMBL31392497 0.72 ADRB2 (0.44) KDM4EADRB2ALDH1A1GAAHTT
SCHEMBL4632655 0.72 ATM (0.40) LMNATSHRMEN1KMT2A
SCHEMBL18330714 0.72 KDM4E (0.41) KDM4EGRM6ALDH1A1HPGDLMNA
SCHEMBL10856905 0.72 KDM4E (0.43) KDM4ESMN1; SMN2GRM6ALDH1A1HPGD
SCHEMBL25982008 0.71 TSHR (0.38) KDM4EADRB2GRM6ALDH1A1LMNA
SCHEMBL11410997 0.70 KDM4E (0.37) KDM4EADRB2ALDH1A1HPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582898-A BLUE SHADES ON POLYESTER BAYER AKTIENGESELLSCHAFT (DE) 1986-04-15 US disclosed
EP-0095638-B1 2,6-DICYANOANILINES BAYER AG (DE) 1985-08-28 EP disclosed
EP-0095638-A1 2,6-Dicyanoanilines BAYER AG (DE) 1983-12-07 EP disclosed