SCHEMBL26938693

SCHEMBL26938693

Cc1ccc(N2CCC(C#N)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ADRB1 P08588 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.46
▸ L3MBTL3 Q96JM7 2/20 0.43
▸ RORC P51449 1/20 0.43
▸ EED O75530 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL17008296 0.81 KDM4E (0.49) ALDH1A1KDM4EL3MBTL3RORCEED
SCHEMBL15652842 0.81 MAPT (0.50) ALDH1A1KDM4EL3MBTL3RORCEED
SCHEMBL30389275 0.81 KDM4E (0.40) ALDH1A1KDM4EADRB1GPR119L3MBTL3
SCHEMBL3442725 0.81 KDM4E (0.56) ALDH1A1KDM4EADRB1GPR119L3MBTL3
SCHEMBL22854286 0.81 HRH3 (0.46) ALDH1A1KDM4EL3MBTL3RORCEED
Hydrochloric Acid SCHEMBL8591798 0.78 ADRB1 (0.53) ALDH1A1KDM4EADRB1GPR119MEN1
SCHEMBL785111 0.78 CHKA (0.53) ALDH1A1KDM4EL3MBTL3RORCEED
SCHEMBL20494695 0.77 KDM4E (0.53) ALDH1A1KDM4EL3MBTL3EEDMEN1
SCHEMBL21542324 0.77 NOTUM (0.50) ALDH1A1KDM4EGPR119L3MBTL3AKR1C3
SCHEMBL18693637 0.77 TRIM24 (0.58) ALDH1A1KDM4EL3MBTL3RORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137358-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2024-06-27 — — WO disclosed
CN-115677568-B One-step amination method of p-methylphenol 南京晓庄学院 2024-04-19 — — CN disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 — — EP disclosed
CN-115677568-A One-step amination method of p-methylphenol 南京晓庄学院 2023-02-03 — — CN disclosed
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