SCHEMBL1101410

SCHEMBL1101410

FC(F)(F)c1ccc(OCc2ccccc2)c(-c2ccnnc2)c1.OB(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.53
▸ PTGER1 P34995 7/20 0.51
▸ CYP2C9 P11712 1/20 0.47
▸ LIPE Q05469 2/20 0.47
▸ PTGDR2 Q9Y5Y4 3/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL1104996 0.92 LRRK2 (0.61) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL29952290 0.84 LIPE (0.60) LRRK2PTGER1LIPERXRARXRB
SCHEMBL1950920 0.84 LIPE (0.60) LRRK2PTGER1LIPERXRARXRB
SCHEMBL16240249 0.80 RXRA (0.63) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL16239759 0.78 LRRK2 (0.51) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL16635189 0.75 LIPE (0.60) LRRK2PTGER1LIPERXRARXRB
SCHEMBL31043388 0.75 LIPE (0.60) LRRK2PTGER1LIPERXRARXRB
SCHEMBL16240247 0.75 MRGPRX4 (0.55) LRRK2PTGER1CYP2C9PTGDR2RXRA
SCHEMBL4884284 0.74 LRRK2 (0.54) LRRK2PTGER1LIPERXRARXRB
SCHEMBL1104997 0.73 SCN9A (0.48) CYP2C9PTGDR2

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-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 — — US disclosed
Send feedback