SCHEMBL20195508

SCHEMBL20195508

Cc1cccc(N(N)C(=O)NN)c1COc1ccc(Br)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA5 P31644 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EDNRA P25101 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CD38 P28907 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
SCHEMBL22038718 0.82 LMNA (0.36) FFAR1RAB9ANPC1ALDH1A1LMNA
SCHEMBL21317989 0.81 SMN1; SMN2 (0.45) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL22038658 0.79 KDM4E (0.36) FFAR1RAB9AGABRA5LMNASMN1; SMN2
SCHEMBL22059403 0.79 SLC22A12 (0.40) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL22038737 0.79 NPC1 (0.38) FFAR1RAB9ANPC1ALDH1A1CYP1A2
SCHEMBL22563775 0.79 ALDH1A1 (0.31) RAB9ANPC1ALDH1A1NR1H4LMNA
SCHEMBL20195433 0.78 FFAR1 (0.40) FFAR1GABRA5
SCHEMBL22037714 0.78 CTSA (0.33) CD38
SCHEMBL22038149 0.78 CTSA (0.37) RAB9ANPC1ALDH1A1GABRA5LMNA
SCHEMBL22038207 0.78 SLC22A12 (0.32) FFAR1GABRA5HDAC1HDAC6CD38

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