SCHEMBL708976

SCHEMBL708976

Cc1cccc(C(C)c2nccn2C(=O)OC2CCCCC2C(C)C)c1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.31
TSHR P16473 2/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL708975 1.00 IDH1 (0.31) IDH1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL698733 0.89 TAS1R3 (0.37) IDH1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL3534000 0.87 CYP19A1 (0.39) IDH1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL697473 0.85 ATM (0.36) TSHRATM
SCHEMBL696466 0.82 HRH3 (0.33) IDH1ATM
SCHEMBL698479 0.81 CYP19A1 (0.35) IDH1TSHRATM
SCHEMBL698478 0.81 CYP19A1 (0.35) IDH1TSHRATM
SCHEMBL695810 0.80 GUCY1B2 (0.36) IDH1TSHRRAB9A
SCHEMBL696477 0.80 KMT2A (0.38) ATM
SCHEMBL713477 0.80 POLB (0.33) MAPT

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-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed