SCHEMBL9766375

SCHEMBL9766375

CC(C)Cc1cc(Cc2cc(CC(C)C)c(N)c(CC(C)C)c2)cc(CC(C)C)c1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
IKBKB O14920 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
SHBG P04278 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21808500 0.92 POLB (0.40) GABRA1GABRB2IKBKBP2RX3P2RX2
SCHEMBL11142100 0.90 SHBG (0.39) GABRA1GABRB2IKBKBNOS3NOS1
SCHEMBL28117219 0.88 GABRA1 (0.50) GABRA1GABRB2IKBKBNOS3NOS1
SCHEMBL18853826 0.79 NOS2 (0.48) GABRA1GABRB2IKBKBNOS3NOS1
SCHEMBL5382487 0.78 NOS3 (0.38) NOS3NOS1NOS2SHBG
SCHEMBL18857162 0.77 GABRA1 (0.35) GABRA1GABRB2IKBKBNOS3NOS1
SCHEMBL4057921 0.77 GABRA1 (0.56) GABRA1GABRB2SHBGALDH1A1POLB
SCHEMBL11466442 0.77 GABRA1 (0.48) GABRA1GABRB2ALDH1A1POLBGAA
SCHEMBL11434905 0.76 POLB (0.44) GABRA1GABRB2NOS3NOS1NOS2
SCHEMBL28742863 0.75 GABRA1 (0.39) GABRA1GABRB2IKBKBNOS3NOS1

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-20150029638-A1 POLYIMIDES AS DIELECTRICS BASF SE (DE) 2015-01-29 US disclosed
US-20150029638-A1 POLYIMIDES AS DIELECTRICS BASF SE (DE) 2015-01-29 US disclosed
US-5037862-A Excellent mechanical stability in printing HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed