SCHEMBL11110140

SCHEMBL11110140

COc1ccc(C(=O)n2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.55
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.49
KLK7 P49862 1/20 0.49
KLK14 Q9P0G3 1/20 0.49
KLK5 Q9Y337 1/20 0.49
HPGD P15428 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
GAA P10253 2/20 0.47
EGFR P00533 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 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
SCHEMBL4815855 0.87 KDM4E (0.53) CYP19A1ALDH1A1MAPTTSHRKLK7
SCHEMBL13028396 0.87 FAAH (0.46) CYP19A1ALDH1A1MAPTKMT2AHPGD
SCHEMBL9807751 0.86 CYP19A1 (0.46) CYP19A1MAPTTBXAS1
SCHEMBL18280922 0.84 HTT (0.63) ALDH1A1MAPTTSHRKMT2AGAA
SCHEMBL11106769 0.81 MAOB (0.46) CYP19A1ALDH1A1KMT2ACES2CES1
SCHEMBL13028408 0.81 ADH5 (0.51) CYP19A1ALDH1A1MAPTTSHRSLC6A7
SCHEMBL31388182 0.80 CYP19A1 (0.52) CYP19A1KMT2ALMNASMN1; SMN2
SCHEMBL29238940 0.80 MAOB (0.45) CYP19A1ALDH1A1KMT2ACES2CES1
SCHEMBL22242602 0.80 ELANE (0.50) CYP19A1MAPTKMT2ATBXAS1LMNA
SCHEMBL12569289 0.80 CYP19A1 (0.51) CYP19A1ALDH1A1MAPTTSHRKMT2A

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-4469865-A INHIBITORS OF THROMBOXANE SYNTHETASE KISSEI PHARMACEUTICAL CO., LTD. (JP) 1984-09-04 US disclosed
EP-0076140-A2 1,3-Disubstituted imidazoles and a process for their production Kissei Pharmaceutical Co. Ltd. (JP) 1983-04-06 EP disclosed