SCHEMBL7815541

SCHEMBL7815541

O=C(O)C(CCn1cncn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TBXAS1 P24557 2/20 0.50
EGLN3 Q9H6Z9 1/20 0.49
ALDH1A1 P00352 3/20 0.45
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7815542 1.00 CYP19A1 (0.51) CYP19A1MEN1KMT2ATBXAS1EGLN3
SCHEMBL28054792 0.79 KMT2A (0.53) CYP19A1MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL7827152 0.78 TSHR (0.53) CYP19A1KMT2ATBXAS1ALDH1A1TSHR
SCHEMBL7827149 0.78 TSHR (0.53) CYP19A1KMT2ATBXAS1ALDH1A1TSHR
SCHEMBL28560792 0.77 CYP19A1 (0.55) CYP19A1MEN1KMT2AEGLN3ALDH1A1
SCHEMBL11001574 0.75 KMT2A (0.62) CYP19A1MEN1KMT2AALDH1A1LMNA
SCHEMBL28770476 0.75 CYP19A1 (0.52) CYP19A1MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL12158648 0.75 CYP19A1 (0.52) CYP19A1MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL28770478 0.75 CYP19A1 (0.52) CYP19A1MEN1KMT2AALDH1A1HSP90AA1
SCHEMBL27575719 0.73 KMT2A (0.48) CYP19A1MEN1KMT2AALDH1A1LMNA

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
EP-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed