SCHEMBL13291398

SCHEMBL13291398

O=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.50
ITGA2 P17301 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C8 P10632 2/20 0.49
BCL2L1 Q07817 2/20 0.47
BAD Q92934 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
SLC6A7 Q99884 1/20 0.45
EGFR P00533 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL13291399 0.92 CHRNA7 (0.53) ITGB1ITGA2CDC25BATMCYP2C9
SCHEMBL13291402 0.89 CHRNA7 (0.55) CYP2C8BCL2L1POLB
SCHEMBL13291400 0.89 CHRNA7 (0.55) CYP2C8BCL2L1POLB
SCHEMBL8465626 0.89 CYP2C9 (0.53) CDC25BATMCYP2C9CYP2C8BCL2L1
SCHEMBL13291426 0.88 MMP2 (0.51) CYP2C9BCL2L1BADMEN1KMT2A
SCHEMBL5959807 0.87 CYP2C9 (0.58) CDC25BATMCYP2C9CYP2C8MEN1
SCHEMBL13291420 0.87 NPC1 (0.44) ITGB1ITGA2CYP2C9CYP2C8BCL2L1
SCHEMBL8465621 0.86 CYP2C8 (0.53) CYP2C9CYP2C8BCL2L1BADNPC1
SCHEMBL3296771 0.83 BCL2L1 (0.65) ITGB1ITGA2CDC25BATMBCL2L1
SCHEMBL10621680 0.83 GSTA1 (0.64) ITGB1ITGA2CDC25BATMBCL2L1

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
US-7727654-B2 Membrane of a sulfonated aromatic polymers having polyphenyl and polyphenylene ether units with fluorine and nitrile groups; higher proton conductivity over a wide temperature range, and exhibits superior hot water resistance, chemical stability, toughness and mechanical strength HONDA MOTOR CO., LTD. (JP) 2010-06-01 US disclosed