SCHEMBL21182258

SCHEMBL21182258

Cc1c(-c2cnc(O)cn2)nc2ccc(C(F)(F)F)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.41
USP7 Q93009 1/20 0.41
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
MCHR1 Q99705 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CYP1A2 P05177 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21182264 0.85 USP7 (0.46) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL21182252 0.85 TRPA1 (0.46) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL19992608 0.83 TRPA1 (0.40) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL19992606 0.82 TRPA1 (0.43) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL19992537 0.82 TRPA1 (0.39) TRPA1USP7KDM4EALDH1A1SMN1; SMN2
SCHEMBL21182254 0.80 TRPA1 (0.47) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL19992567 0.74 TRPA1 (0.37) TRPA1USP7CYP11B1CYP11B2MCHR1
SCHEMBL22303200 0.72 USP7 (0.46) TRPA1USP7MCHR1KDM4EALDH1A1
SCHEMBL19992609 0.70 DYRK3 (0.38) TRPA1USP7KDM4ESMN1; SMN2CYP1A2
SCHEMBL22591242 0.69 TRPA1 (0.44) TRPA1USP7CYP11B1CYP11B2MCHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514155-B1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2021-06-09 EP disclosed
EP-3514155-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2019-07-24 EP disclosed