SCHEMBL18831753

SCHEMBL18831753

CCc1cccc(N(N)C(=O)N(C)N)c1COc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.44
FFAR4 Q5NUL3 4/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
FFAR1 O14842 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.91 CD274 (0.36) MRGPRX4FFAR4CD274FFAR1
SCHEMBL20686716 0.89 KDM4E (0.39) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL18831290 0.89 MEN1 (0.37) MRGPRX4HSD17B10POLBHPGDMAPT
SCHEMBL18831370 0.88 SMN1; SMN2 (0.39) MRGPRX4NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL20686765 0.86 MRGPRX4 (0.43) MRGPRX4FFAR4NPC1RAB9ATP53
SCHEMBL20686688 0.84 MRGPRX4 (0.42) MRGPRX4FFAR4NPC1RAB9ATP53
SCHEMBL20686584 0.83 HIF1A (0.38) MRGPRX4CD274MEN1KMT2A
SCHEMBL18831548 0.83 MRGPRX4 (0.34) MRGPRX4CD274
SCHEMBL18749712 0.82 MRGPRX4 (0.46) MRGPRX4FFAR4NPC1RAB9ATP53
SCHEMBL18831381 0.82 MRGPRX4 (0.38) MRGPRX4NPC1ALDH1A1CD274PTGER1

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-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed