SCHEMBL27989184

SCHEMBL27989184

Cc1cc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.47
USP2 O75604 2/20 0.47
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL27988922 0.77 SIGMAR1 (0.46) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6844898 0.76 NOTUM (0.45) LMNAMAPTTDP1TP53SMN1; SMN2
SCHEMBL2951878 0.75 ALDH1A1 (0.66) LMNAMAPTTDP1TP53SMN1; SMN2
SCHEMBL27989186 0.73 LIPG (0.36) LMNAMAPTTDP1TP53SMN1; SMN2
SCHEMBL15714684 0.72 MYC (0.85) LMNASMN1; SMN2MAPK1TSHRKDM4E
SCHEMBL16599638 0.69 GRM5 (0.49) LMNAMAPTTDP1TP53SMN1; SMN2
SCHEMBL27320988 0.69 IP6K1 (0.50) LMNAMAPTTP53SMN1; SMN2NPC1
SCHEMBL1336438 0.69 CHEK1 (0.51) LMNAMAPTTP53SMN1; SMN2NPC1
SCHEMBL10373626 0.69 MAPT (0.77) LMNAMAPTTDP1TP53SMN1; SMN2
SCHEMBL632109 0.69 CA12 (0.69) LMNATP53SMN1; SMN2MAPK1USP2

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
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed