SCHEMBL18831766

SCHEMBL18831766

CCOc1cccc(N(N)C(=O)N(C)N)c1COc1cc(Cl)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
MRGPRX4 Q96LA9 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RORC P51449 1/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL18831746 0.81 SLC22A12 (0.37) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL18831547 0.79 MAOA (0.37) MAPTTSHRSMN1; SMN2LMNARAB9A
SCHEMBL18871659 0.79 MRGPRX4 (0.32) MAPTSMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL18831446 0.78 KMT2A (0.36) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL20686857 0.78 MRGPRX4 (0.47) MAPTSMN1; SMN2RAB9ANPC1MRGPRX4
SCHEMBL18178257 0.78 LMNA (0.41) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL18831656 0.77 GRM5 (0.38) MAPTSMN1; SMN2RAB9AMRGPRX4KDM4E
SCHEMBL20686599 0.77 GLA (0.37) MAPTTSHRLMNARAB9AMRGPRX4
SCHEMBL22590951 0.77 GLA (0.37) MAPTTSHRLMNARAB9AMRGPRX4
SCHEMBL18831576 0.77 GLA (0.37) MAPTTSHRLMNARAB9AMRGPRX4

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