SCHEMBL9957248

SCHEMBL9957248

CCc1c(N)cc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CHIT1 Q13231 1/20 0.38
CHIA Q9BZP6 1/20 0.38
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
EPHX1 P07099 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SLC2A1 P11166 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MGLL Q99685 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL9957466 0.86 RORC (0.35) KCNH2CHIT1CHIAS1PR1GRK5
SCHEMBL3577580 0.83 LMNA (0.38) KCNH2CHIT1CHIAS1PR1GRK5
SCHEMBL3576111 0.77 LMNA (0.41) KCNH2CHIT1CHIAS1PR1GRK5
SCHEMBL9958958 0.74 SLC2A1 (0.39) S1PR1GRK5CDK8S1PR5SLC2A1
SCHEMBL9957400 0.73 RCE1 (0.39) S1PR1GRK5CDK8S1PR5SLC2A1
SCHEMBL3576810 0.73 LMNA (0.42) S1PR1GRK5CDK8S1PR5SLC2A1
SCHEMBL3577493 0.72 LMNA (0.40) S1PR1GRK5CDK8S1PR5LMNA
SCHEMBL12521079 0.72 LMNA (0.44) S1PR1GRK5CDK8S1PR5SLC2A1
SCHEMBL3574585 0.72 LMNA (0.42) KCNH2CHIT1CHIAS1PR1GRK5
SCHEMBL3576623 0.72 LMNA (0.41) S1PR1GRK5CDK8S1PR5TRPV1

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-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed