SCHEMBL20686643

SCHEMBL20686643

CCc1cccc(N(N)C(=O)N(C)N)c1COc1ccc(O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.41
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDR P35968 3/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21317952 0.88 CD274 (0.36) MRGPRX4
SCHEMBL18831570 0.87 NPC1 (0.35) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL18831573 0.87 MET (0.37) MRGPRX4
SCHEMBL18871219 0.85 L3MBTL1 (0.39) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL18831440 0.85 MRGPRX4 (0.38) MRGPRX4
SCHEMBL18871330 0.84 MRGPRX4 (0.39) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL18831388 0.84 MRGPRX4 (0.33) MRGPRX4ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL18831744 0.83 MRGPRX4 (0.41) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18831262 0.82 MRGPRX4 (0.35) MRGPRX4
SCHEMBL18831638 0.82 MRGPRX4 (0.39) MRGPRX4SMN1; SMN2TDP1

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-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed