SCHEMBL27997401

SCHEMBL27997401

Oc1ccc(Cl)cc1C1=NN(c2ccccn2)C(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESD P10768 1/20 1.00
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PRKCZ Q05513 11/20 0.52
▸ MAOA P21397 5/20 0.52
▸ MAOB P27338 5/20 0.52
▸ KIF11 P52732 1/20 0.45

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
SCHEMBL6292699 0.86 ESD (0.75) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL27997620 0.79 ESD (0.65) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL6294300 0.77 ESD (0.63) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL6298090 0.77 ESD (0.61) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL27997398 0.76 ESD (0.61) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL6298325 0.75 ESD (0.60) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL6298319 0.75 PDE5A (0.65) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL6294160 0.74 ESD (0.58) ESDMEN1KMT2AHSP90AA1ATM
SCHEMBL4942223 0.71 ESD (0.55) ESDMEN1KMT2AATMPRKCZ
SCHEMBL22795865 0.71 ESD (0.55) ESDMEN1KMT2AATMPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104288149-B Application of 4-chloro-2-(5-phenyl-1-(pyridine-2-yl)-4, 5-dihydro-1H-pyrazol-3-yl) phenol in pharmacy 山东大学 2017-02-15 — — CN disclosed
CN-104288149-B Application of 4-chloro-2-(5-phenyl-1-(pyridine-2-yl)-4, 5-dihydro-1H-pyrazol-3-yl) phenol in pharmacy 山东大学 2017-02-15 — — CN disclosed
CN-104288149-A Application of 4-chloro-2-(5-phenyl-1-(pyridine-2-yl)-4, 5-dihydro-1H-pyrazol-3-yl) phenol in pharmacy UNIV SHANDONG 2015-01-21 — — CN disclosed
CN-104288149-A Application of 4-chloro-2-(5-phenyl-1-(pyridine-2-yl)-4, 5-dihydro-1H-pyrazol-3-yl) phenol in pharmacy UNIV SHANDONG 2015-01-21 — — CN disclosed
CN-104288149-A Application of 4-chloro-2-(5-phenyl-1-(pyridine-2-yl)-4, 5-dihydro-1H-pyrazol-3-yl) phenol in pharmacy UNIV SHANDONG 2015-01-21 — — CN disclosed
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