SCHEMBL11488802

SCHEMBL11488802

Cc1ccc2[nH]cc(Cn3ccnc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.72
CYP19A1 P11511 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTR1A P08908 2/20 0.59
HTR2C P28335 1/20 0.59
CYP11B1 P15538 5/20 0.50
CYP11B2 P19099 5/20 0.50
HTR1D P28221 2/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
SNCA P37840 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL11387455 0.84 TBXAS1 (1.00) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11493719 0.84 TBXAS1 (0.72) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11494396 0.84 TBXAS1 (0.72) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11349273 0.84 TBXAS1 (0.72) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11488027 0.83 TBXAS1 (0.67) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11054251 0.83 TBXAS1 (0.67) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL9214699 0.80 TBXAS1 (1.00) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL8545405 0.79 TBXAS1 (0.65) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL6945754 0.76 HTR1A (0.79) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2
SCHEMBL11491883 0.75 CYP19A1 (0.61) TBXAS1CYP19A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217357-A Inhibition of thromboxane synthetase with 3-(imidazol-1-ylalkyl)indoles PFIZER INC. (US) 1980-08-12 US disclosed