SCHEMBL9328013

SCHEMBL9328013

COC(=O)C(c1ccccc1)n1cncn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
CYP26A1 O43174 6/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9711386 0.86 CYP19A1 (0.55) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL10924520 0.85 CYP19A1 (0.49) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL27494651 0.80 CYP19A1 (0.57) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL11320884 0.79 CYP19A1 (0.49) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL10408460 0.79 CYP19A1 (0.56) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL14857936 0.78 KMT2A (0.51) CYP26A1KMT2AMEN1ALDH1A1LMNA
SCHEMBL11335075 0.77 CYP19A1 (0.50) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL11106057 0.76 KMT2A (0.48) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL11321101 0.75 CYP19A1 (0.48) CYP19A1CYP26A1KMT2AMEN1CYP1A2
SCHEMBL15565117 0.74 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424021-B1 Antimuscarinic bronchodilators PFIZER LTD (GB) 1994-03-02 EP disclosed
US-5171744-A Antimuscarinic bronchodilators PFIZER INC. (US) 1992-12-15 US disclosed
EP-0424021-A1 Antimuscarinic bronchodilators Pfizer Limited (GB) 1991-04-24 EP disclosed