SCHEMBL3729714

SCHEMBL3729714

CC=C(C)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 4/20 0.55
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.50
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ PKM P14618 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL9160142 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL3729713 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL28596744 0.89 ALDH1A1 (0.53) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL3029236 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL20808033 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL17620025 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL6158138 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL14404774 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL3029234 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECES2CES1L3MBTL1
SCHEMBL20824986 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ECES2CES1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103280598-A Lithium ion battery and electrolyte thereof AMPEREX TECHNOLOGY LTD 2013-09-04 — — CN claimed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 — — CN disclosed
CN-103280598-A Lithium ion battery and electrolyte thereof AMPEREX TECHNOLOGY LTD 2013-09-04 — — CN disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 — — EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
US-4581171-A ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1986-04-08 — — US disclosed
US-4533665-A SEROTONIN ANTAGONIST JANSSEN PHARMACEUTICA (BE) 1985-08-06 — — US disclosed
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