SCHEMBL27860360

SCHEMBL27860360

CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)NN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PPARG P37231 4/20 0.47
▸ PPARD Q03181 4/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC3 O15379 4/20 0.46
▸ HDAC4 P56524 4/20 0.46
▸ HDAC7 Q8WUI4 4/20 0.46
▸ HDAC2 Q92769 4/20 0.46
▸ HDAC10 Q969S8 4/20 0.46
▸ HDAC11 Q96DB2 4/20 0.46

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
SCHEMBL28765765 0.90 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL27706390 0.85 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL4689814 0.78 GRN (0.64) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL28767211 0.78 GRN (0.61) MAPTMEN1KMT2ACYP1A2MAPK1
SCHEMBL27706437 0.77 SMN1; SMN2 (0.63) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL27694051 0.75 LMNA (0.53) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL14144797 0.72 SMN1; SMN2 (0.81) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL27687135 0.72 MARS1 (0.65) MAPTMEN1KMT2ACYP1A2MAPK1
SCHEMBL4690033 0.71 PPARG (0.83) PPARGPPARDPPARA
SCHEMBL4692309 0.70 PPARG (0.54) MAPTMEN1KMT2ACYP2C9SMN1; SMN2

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
CN-102266327-B Application of 1-(4-tert-butyl benzyl)-3-(4-chlorphenyl)-1H-pyrazol-5-carbohydrazide in preparation of medicaments UNIV SHANDONG 2012-09-19 — — CN disclosed
CN-102266327-B Application of 1-(4-tert-butyl benzyl)-3-(4-chlorphenyl)-1H-pyrazol-5-carbohydrazide in preparation of medicaments UNIV SHANDONG 2012-09-19 — — CN disclosed
CN-102266327-A Application of 1-(4-tert-butyl benzyl)-3-(4-chlorphenyl)-1H-pyrazol-5-carbohydrazide to preparation of medicaments UNIV SHANDONG 2011-12-07 — — CN disclosed
CN-102266327-A Application of 1-(4-tert-butyl benzyl)-3-(4-chlorphenyl)-1H-pyrazol-5-carbohydrazide to preparation of medicaments UNIV SHANDONG 2011-12-07 — — CN disclosed
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