SCHEMBL20844928

SCHEMBL20844928

Cc1cccc(N(N)C(=O)N(C)N)c1COc1ccn(-c2ccc(F)nc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20845127 0.83 CRHR1 (0.30)
SCHEMBL22564019 0.80 NR1H4 (0.33)
SCHEMBL19909868 0.80 ALDH1A1 (0.35)
SCHEMBL20844915 0.80 MTNR1A (0.34)
SCHEMBL20844904 0.79 NR1H4 (0.33)
SCHEMBL22563756 0.79 DGAT1 (0.34) CYP3A4CYP2C19
SCHEMBL20844972 0.79 SGMS2 (0.32)
SCHEMBL22563870 0.79 FFAR1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20844994 0.79 ALDH1A1 (0.30)
SCHEMBL20844974 0.79 KDM4E (0.36)

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-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed