SCHEMBL23182121

SCHEMBL23182121

C=C/C=C(\N=C/CC=C)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ CTNNB1 P35222 4/20 0.34
▸ WNT3A P56704 3/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 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
SCHEMBL19155573 0.82 CES2 (0.41) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL20697741 0.81 KDM4E (0.43) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL20698005 0.77 KDM4E (0.40) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL25066770 0.75 CES2 (0.38) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL25525738 0.70 KDM4E (0.45) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL20825179 0.69 MAPK1 (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2CES2
SCHEMBL10465175 0.69 ALDH1A1 (0.52) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL18410851 0.69 ALDH1A1 (0.52) KDM4EALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL19154947 0.69 MAPK1 (0.50) KDM4EALDH1A1RAB9ASMN1; SMN2CES2
SCHEMBL27611283 0.69 CES2 (0.45) KDM4EALDH1A1RAB9AHTTSMN1; SMN2

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-3411347-B1 MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS UNIV DEGLI STUDI UDINE (IT) 2021-03-31 — — EP disclosed
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