SCHEMBL29370429

SCHEMBL29370429

c1ccc(CNc2nncc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
GOT1 P17174 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
PKM P14618 2/20 0.57
NPC1 O15118 2/20 0.57
MPO P05164 2/20 0.57
RAB9A P51151 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAOA P21397 1/20 0.57
PTGS1 P23219 1/20 0.57
THPO P40225 1/20 0.57
AOX1 Q06278 1/20 0.57
ACOX1 Q15067 1/20 0.57
MAPT P10636 3/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL3918436 0.89 POLB (0.58) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL3758755 0.85 APP (0.57) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL29372940 0.85 APP (0.57) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL3753974 0.79 APP (0.60) TP53SMN1; SMN2NPC1MPORAB9A
SCHEMBL4987535 0.79 CSNK2A1 (0.57) ALDH1A1TP53KMT2AMEN1EGFR
SCHEMBL5067187 0.77 EGFR (0.52) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL12199237 0.77 MPO (0.57) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL28900093 0.76 NPC1 (0.71) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL13286756 0.76 NPC1 (0.71) KDM4EALDH1A1TP53CYP3A4GOT1
SCHEMBL2492808 0.76 PDE5A (0.58) PDE5A

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
CN-114014814-B N-benzyl-4-phenylphthalazin-1-amine derivative, preparation method thereof and medicament for treating RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2023-07-25 CN disclosed
CN-114014814-A N-benzyl-4-phenylphthalazin-1-amine derivative, preparation method thereof and medicine for treating RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2022-02-08 CN disclosed