SCHEMBL19805147

SCHEMBL19805147

O=C1Nc2c(F)cc(Br)cc2CO1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL31180315 0.80 CYP11B1 (0.31) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL27076357 0.79 ABCC9 (0.33) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4297627 0.74 TDP2 (0.46) —
SCHEMBL29961692 0.73 MMP12 (0.38) —
SCHEMBL27076356 0.73 MMP12 (0.38) —
SCHEMBL13726349 0.72 KIF11 (0.46) CYP11B1CYP11B2
SCHEMBL30496989 0.70 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8PDE3B
SCHEMBL286550 0.70 KDM4E (0.39) ABCC9ABCC8KCNJ11KCNJ8PDE3B
SCHEMBL27076383 0.70 MEN1 (0.39) CYP11B1CYP11B2
SCHEMBL787497 0.69 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3A

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
WO-2024222814-A1 CYP11B2 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2024-10-31 — — WO disclosed
WO-2018017490-A1 CARBAMATE QUINABACTIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-25 — — WO disclosed
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