SCHEMBL10586802

SCHEMBL10586802

O=C(c1ccc(F)cc1)c1cccc(-c2cc(C(=O)c3ccc(F)cc3)ccc2-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 1/20 0.45
ITGA2 P17301 1/20 0.45
PTGER1 P34995 1/20 0.44
PDK2 Q15119 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPG P10696 1/20 0.43
HSD17B14 Q9BPX1 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
MAPK14 Q16539 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL6421185 0.84 ATM (0.59) CNR2ATMTDP1L3MBTL1PDK2
SCHEMBL10029708 0.83 ATM (0.61) CNR2ATMTDP1L3MBTL1PTGER1
SCHEMBL17950520 0.79 ATM (0.75) ATMTDP1L3MBTL1ITGB1ITGA2
SCHEMBL10745920 0.79 CNR2 (0.49) CNR2ATMTDP1L3MBTL1ITGB1
SCHEMBL3809549 0.78 KMO (0.63) PTGER1FNTAFNTBPTPRCALDH1A1
SCHEMBL10726242 0.77 CNR2 (0.50) CNR2ITGB1ITGA2LMNAHPGD
SCHEMBL8426884 0.76 MEN1 (0.49) ATMLMNAHPGDSMN1; SMN2ALPG
SCHEMBL209624 0.76 ATM (0.67) ATMTDP1L3MBTL1LMNAHPGD
SCHEMBL17068941 0.76 ALDH1A1 (0.70) ATMTDP1L3MBTL1LMNAHPGD
SCHEMBL251921 0.76 ALDH1A1 (0.70) ATMTDP1L3MBTL1LMNAHPGD

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
EP-0322151-A2 Aromatic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-06-28 EP disclosed