SCHEMBL21022145

SCHEMBL21022145

COc1ccc(/C=C/c2ccc(-n3nnc4ccccc43)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
RCE1 Q9Y256 2/20 0.48
PKM P14618 1/20 0.48
CDK5 Q00535 1/20 0.48
PAX8 Q06710 1/20 0.48
CDK5R1 Q15078 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
RELA Q04206 5/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL13620481 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL24060749 0.75 KCNMA1 (0.53) SMN1; SMN2RAB9ALMNAALDH1A1KDM4E
SCHEMBL4209963 0.74 KCNMA1 (0.64) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL2096963 0.73 MGAM (0.55) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL21021424 0.71 KCNMA1 (0.40) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL2095767 0.70 KDM4E (0.59) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL24776900 0.70 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL16314217 0.69 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL21467623 0.68 RAB9A (0.46) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL463197 0.68 MAPT (0.70) SMN1; SMN2NPC1RAB9ATP53LMNA

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed