SCHEMBL10364844

SCHEMBL10364844

O=C(Cn1ccnc1)c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.60
ALPG P10696 2/20 0.57
ALPI P09923 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PLAA Q9Y263 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP51A1 Q16850 1/20 0.52
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48

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
SCHEMBL27559825 0.79 CYP19A1 (0.79) CYP19A1ALPGALPITDP1PLAA
SCHEMBL1509735 0.78 CYP19A1 (0.71) CYP19A1ALPGALPITDP1PLAA
SCHEMBL9202360 0.77 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
SCHEMBL13979176 0.76 CYP19A1 (0.74) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL410578 0.76 CYP19A1 (0.69) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247505 0.75 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL7241260 0.75 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL9663730 0.75 CYP19A1 (1.00) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247467 0.75 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247597 0.75 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA

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-0314478-B1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR PREPARATION THEREOF ANTIFUNGAL AGENT AND MILDEWPROOF AGENT SHIKOKU CHEMICALS CORPORATION (JP) 1990-09-05 EP disclosed
US-4912123-A Imidazole compound SHIKOKU CHEMICALS CORPORATION (JP) 1990-03-27 US disclosed
EP-0314478-A1 Novel imidazole compounds, process for preparation thereof antifungal agent and mildewproof agent SHIKOKU CHEMICALS CORPORATION (JP) 1989-05-03 EP disclosed