SCHEMBL16656490

SCHEMBL16656490

c1ccc2c(c1)ccc1[nH]c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.57
CCND1 P24385 8/20 0.57
KIF11 P52732 8/20 0.49
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL22661399 0.95 CDK4 (0.58) CDK4CCND1KIF11GABRPGABRD
SCHEMBL16310858 0.95 CDK4 (0.61) CDK4CCND1KIF11GABRPGABRD
SCHEMBL22870169 0.94 CDK4 (0.60) CDK4CCND1KIF11GABRPGABRD
SCHEMBL23966739 0.92 CDK4 (0.65) CDK4CCND1KIF11GABRPGABRD
SCHEMBL24557818 0.90 CDK4 (0.53) CDK4CCND1KIF11GABRPGABRD
SCHEMBL23609819 0.87 CDK4 (0.73) CDK4CCND1KIF11GABRPGABRD
SCHEMBL17563211 0.87 CDK4 (0.73) CDK4CCND1KIF11GABRPGABRD
SCHEMBL23609720 0.87 CDK4 (0.60) CDK4CCND1KIF11GABRPGABRD
SCHEMBL17228823 0.87 AHR (0.64) CDK4CCND1KIF11GABRPGABRD
SCHEMBL13828829 0.86 CDK4 (0.59) CDK4CCND1KIF11GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012903-B2 Organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-21 US disclosed
US-9012903-B2 Organic light-emitting devices SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-21 US disclosed