SCHEMBL20195478

SCHEMBL20195478

CCc1cccc(N(N)C(=O)N(C)N)c1COc1cccc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.38
GRM5 P41594 5/20 0.36
GRM1 Q13255 2/20 0.36
HSD17B3 P37058 1/20 0.34
SYK P43405 1/20 0.34
P2RX7 Q99572 1/20 0.32
MAPK8 P45983 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22037272 0.88 HTR7 (0.41) MAPK8HTR7
SCHEMBL20195506 0.84 GABRA5 (0.36) GABRA5GRM5GRM1HSD17B3
SCHEMBL22038142 0.82 MEN1 (0.37) LMNAALDH1A1NPC1TP53MAPT
SCHEMBL20686710 0.80 TP53 (0.36) TP53
SCHEMBL22037708 0.78 HTR7 (0.42) LMNATP53MAPTHTR7
SCHEMBL18831753 0.77 MRGPRX4 (0.44) LMNAPOLBKDM4EALDH1A1NPC1
SCHEMBL21317952 0.77 CD274 (0.36)
SCHEMBL20686632 0.77 GABRA1 (0.34)
SCHEMBL20195396 0.76 SMN1; SMN2 (0.38) MAPTSMN1; SMN2
SCHEMBL20686716 0.75 KDM4E (0.39) LMNAPOLBKDM4EALDH1A1NPC1

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