SCHEMBL11049461

SCHEMBL11049461

C=C(C(=O)O)c1[nH]c2ccccc2c1Cn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.57
CYP19A1 P11511 9/20 0.48
CYP11B1 P15538 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B2 P19099 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43

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
SCHEMBL11493648 0.76 TBXAS1 (0.66) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11049464 0.76 TBXAS1 (0.56) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11053962 0.75 TBXAS1 (0.71) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL8583810 0.74 TBXAS1 (0.45) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8582561 0.73 TBXAS1 (0.58) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11494432 0.73 TBXAS1 (0.62) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11048258 0.73 FNTA (0.51)
SCHEMBL11486551 0.73 TBXAS1 (0.68) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11346119 0.73 TBXAS1 (1.00) TBXAS1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11355457 0.72 CYP19A1 (0.62) TBXAS1CYP19A1CYP11B1MEN1KMT2A

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
US-4451472-A ANTITHROMBOSIS AND ANTIISCHEMIC AGENTS, AND TREATMENT OF VASCULAR COMPLICATIONS OF DIAMETES PFIZER INC. (US) 1984-05-29 US disclosed
US-4451472-A ANTITHROMBOSIS AND ANTIISCHEMIC AGENTS, AND TREATMENT OF VASCULAR COMPLICATIONS OF DIAMETES PFIZER INC. (US) 1984-05-29 US disclosed