SCHEMBL20844975

SCHEMBL20844975

Cc1cccc(N(N)C(=O)NN)c1COc1ccn(-c2ccc(Br)cn2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.33
ADORA3 P0DMS8 1/20 0.31
GABRA5 P31644 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTGER1 P34995 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 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
SCHEMBL19909882 0.88 NR1H4 (0.33) NR1H4PTGER1NPC1TP53RAB9A
SCHEMBL22564154 0.85 NR1H4 (0.37) NR1H4PTGER1NPC1RAB9A
SCHEMBL22563775 0.85 ALDH1A1 (0.31) NR1H4NPC1RAB9A
SCHEMBL22563772 0.84 KDM4E (0.34) ADORA3NR1H4
SCHEMBL22564091 0.83 NR1H4 (0.38) NR1H4
SCHEMBL22564161 0.81 NR1H4 (0.37) NR1H4NPC1RAB9A
SCHEMBL20902007 0.81 ALDH1A1 (0.41) NR1H4NPC1RAB9A
SCHEMBL22563773 0.81 KLKB1 (0.32) PTGER1
SCHEMBL22564364 0.80 KMT2A (0.34)
SCHEMBL22564153 0.80 ALDH1A1 (0.33) NPC1RAB9A

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