SCHEMBL11030374

SCHEMBL11030374

CC(O)N(c1nc(N2CC[S+]([O-])CC2)c2ncnc(Sc3ccc(F)cc3)c2n1)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL11047336 0.92 — —
SCHEMBL11026578 0.91 ALDH1A1 (0.31) —
SCHEMBL11026091 0.85 — —
SCHEMBL11023760 0.82 KIT (0.34) —
SCHEMBL11049372 0.81 SLC29A1 (0.31) —
SCHEMBL10969947 0.81 ABL1 (0.31) —
SCHEMBL11023388 0.79 CYP1A2 (0.38) —
SCHEMBL11048924 0.79 NPC1 (0.32) —
SCHEMBL11026413 0.78 SLC29A1 (0.41) —
SCHEMBL11023583 0.78 SLC29A1 (0.41) —

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
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 — — EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 — — US disclosed
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