SCHEMBL20698005

SCHEMBL20698005

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ RAB9A P51151 9/20 0.36
▸ NPC1 O15118 8/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ PKM P14618 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ PTBP1 P26599 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 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
SCHEMBL20697741 0.83 KDM4E (0.43) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL19155573 0.81 CES2 (0.41) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL23182121 0.77 KDM4E (0.39) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL25066770 0.74 CES2 (0.38) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL10465175 0.72 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL18410851 0.72 ALDH1A1 (0.52) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL23046369 0.71 KDM4E (0.44) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL25876618 0.71 KDM4E (0.44) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL25525738 0.69 KDM4E (0.45) KDM4EALDH1A1CES2CES1RAB9A
SCHEMBL20825179 0.68 MAPK1 (0.50) KDM4EALDH1A1CES2CES1RAB9A

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
US-20190030522-A1 MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE AND INNOVATION FACTORY S.R.L. (IT) 2019-01-31 — — US disclosed
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