SCHEMBL31420544

SCHEMBL31420544

N#Cc1cc(C2BOOC2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ PTP4A3 O75365 1/20 0.30

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
SCHEMBL30505734 0.74 ALDH1A1 (0.41) —
SCHEMBL31734535 0.71 PTP4A3 (0.38) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3712044 0.70 CYP11B1 (0.51) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL14498539 0.68 ABCC9 (0.39) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25004524 0.67 SLC6A4 (0.38) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29124253 0.66 MAPT (0.50) —
SCHEMBL74807 0.65 TRPV4 (0.46) PGRTRPV4CYP11B1CYP11B2PTP4A3
SCHEMBL31507277 0.65 ESR2 (0.35) —
SCHEMBL29725673 0.65 ABCC9 (0.37) PGRABCC9ABCC8KCNJ11KCNJ8
SCHEMBL28777283 0.65 ABCC9 (0.37) PGRABCC9ABCC8KCNJ11KCNJ8

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
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
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