SCHEMBL20195489

SCHEMBL20195489

Cc1ccn(-c2cc(C)c(OCc3c(C)cccc3N(N)C(=O)NN)nc2C)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
KMT2A Q03164 1/20 0.30
TGFBR1 P36897 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
SCHEMBL20195427 0.79 CNR1 (0.33) CD38KMT2A
SCHEMBL22563772 0.78 KDM4E (0.34) KDM4EALDH1A1MAPT
SCHEMBL20845274 0.77
SCHEMBL22563773 0.76 KLKB1 (0.32) KDM4EALDH1A1MAPTCYP3A4
SCHEMBL22564091 0.75 NR1H4 (0.38) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL22564161 0.75 NR1H4 (0.37) CD38KDM4EALDH1A1MAPTRAB9A
SCHEMBL22563775 0.75 ALDH1A1 (0.31) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL20844961 0.74 P2RX7 (0.32) KDM4EALDH1A1MAPT
SCHEMBL22563918 0.74 SIGMAR1 (0.40) KDM4EMAPTRAB9AKCNH2KMT2A
SCHEMBL22564364 0.74 KMT2A (0.34) KDM4EALDH1A1MAPTKMT2A

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