SCHEMBL9958082

SCHEMBL9958082

Fc1ccc(CCNCc2ccc(C3CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
MCHR1 Q99705 1/20 0.51
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.49
MPO P05164 1/20 0.48
TAAR1 Q96RJ0 2/20 0.44
TRPV6 Q9H1D0 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
SCHEMBL3584471 0.94 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1CA12CA1
SCHEMBL3577596 0.84 CA12 (0.54) L3MBTL1KDM4ECA12CA1CA2
SCHEMBL3573452 0.78 CA12 (0.51) KDM4ECA12CA1CA2CA4
SCHEMBL5177540 0.78 JAK2 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL10399489 0.78 KDM4E (0.84) L3MBTL1KDM4EALDH1A1CA12CA1
SCHEMBL3230910 0.77 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CYP2C9TAAR1
SCHEMBL184505 0.77 LMNA (0.50) L3MBTL1ALDH1A1LMNACYP2D6CYP2C19
SCHEMBL3240146 0.76 L3MBTL1 (0.69) L3MBTL1KDM4EALDH1A1CA12CA1
SCHEMBL28767215 0.75 PTPN1 (0.40) ALDH1A1CHRM2
SCHEMBL6495269 0.75 SPHK1 (0.51) ALDH1A1CYP2C9CYP3A4

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed