SCHEMBL9768868

SCHEMBL9768868

NN=C(Cc1ccccc1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
CTSL P07711 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13140671 0.87 CTSL (0.58) GAAMAPTCTSLKMT2AALDH1A1
SCHEMBL12618542 0.87 CTSL (0.58) GAAMAPTCTSLKMT2AALDH1A1
SCHEMBL9321480 0.84 GAA (0.50) GAAMAPTCTSLMEN1KMT2A
SCHEMBL9321485 0.84 GAA (0.50) GAAMAPTCTSLMEN1KMT2A
SCHEMBL2788935 0.83 L3MBTL1 (0.46) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL9324776 0.76 KDM4E (0.46) GAAMAPTCTSLMEN1KMT2A
SCHEMBL9324768 0.76 KDM4E (0.46) GAAMAPTCTSLMEN1KMT2A
SCHEMBL14519360 0.75 FNTA (0.44) GAAMAPTCTSLMEN1KMT2A
SCHEMBL9768851 0.74 GAA (0.76) GAAMAPTCTSLKMT2AALDH1A1
SCHEMBL9769034 0.73 ATM (0.42) GAAMAPTKMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed