SCHEMBL20195457

SCHEMBL20195457

Cc1cccc(-n2nn[nH]c2=O)c1COc1ccc(-c2ncccc2C#N)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM5A P29375 1/20 0.31
GABRA5 P31644 1/20 0.30
DRD1 P21728 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
SCHEMBL17811654 0.86 CA12 (0.33) CA12CA1CA2CA9KDM5A
SCHEMBL16437461 0.83 KDM5A (0.32) CA12CA1CA2CA9KDM5A
SCHEMBL20195436 0.83 FLT3 (0.33) GABRA5
SCHEMBL20195527 0.82 HCAR2 (0.33) GABRA5
SCHEMBL20195429 0.81 MGAT2 (0.33) GABRA5
SCHEMBL17804247 0.74 KDM5A (0.33) KDM5AGABRA5
SCHEMBL17614621 0.72 GABRA5 (0.36) GABRA5
SCHEMBL20195475 0.72 GABRA5 (0.40) GABRA5
SCHEMBL17811645 0.71 GRM2 (0.32) KDM5A
SCHEMBL16920858 0.71 SLC22A12 (0.38)

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed