SCHEMBL20903539

SCHEMBL20903539

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ RAB9A P51151 7/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL21953560 0.84 KDM4E (0.48) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL12067918 0.84 KDM4E (0.42) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL25619948 0.82 KDM4E (0.37) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL21515519 0.82 KDM4E (0.47) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL20362919 0.78 KDM4E (0.37) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL20824986 0.76 ALDH1A1 (0.50) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL21279978 0.76 ALDH1A1 (0.50) KDM4EALDH1A1CES2CES1L3MBTL1
SCHEMBL21743331 0.76 HSP90AA1 (0.35) KDM4EALDH1A1L3MBTL1MAPTLMNA
SCHEMBL25493745 0.76 TP53 (0.47) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL20901312 0.76 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151128-A1 NEAR INFRARED (NIR) LIGHT CONTROLLED RUTHENIUM CATALYZED OLEFIN METATHESIS NATIONAL SCIENCE FOUNDATION 2023-05-18 — — US disclosed
EP-2707912-B1 ORGANIC LIGHT EMISSIVE MATERIAL AND DEVICE CAMBRIDGE DISPLAY TECH LTD (GB) 2019-04-17 — — EP disclosed
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