SCHEMBL29539478

SCHEMBL29539478

Nc1ccc(Oc2ccc(Br)nc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.51
▸ MPO P05164 1/20 0.50
▸ TPO P07202 1/20 0.50
▸ EPX P11678 1/20 0.50
▸ LPO P22079 1/20 0.50
▸ CDK8 P49336 10/20 0.46
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL4465571 1.00 LTA4H (0.51) LTA4HMPOTPOEPXLPO
SCHEMBL29564176 0.85 LTA4H (0.60) LTA4HMPOTPOEPXLPO
SCHEMBL28443559 0.84 MAPT (0.57) LTA4HMPOTPOEPXLPO
SCHEMBL30086862 0.80 MPO (0.47) LTA4HMPOTPOEPXLPO
SCHEMBL23888744 0.80 MPO (0.47) LTA4HMPOTPOEPXLPO
SCHEMBL26013341 0.79 ALDH1A1 (0.61) LTA4HMPOTPOEPXLPO
SCHEMBL5786732 0.78 LTA4H (0.50) LTA4H
SCHEMBL1826466 0.78 MAOA (0.56) LTA4HMPOTPOEPXLPO
SCHEMBL30876942 0.76 LTA4H (0.51) LTA4HMPOTPOEPXLPO
SCHEMBL4470527 0.76 CDK8 (0.56) LTA4HMPOTPOEPXLPO

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-4214198-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-07-26 — — EP disclosed
CN-116323582-A Heteroaromatic ring compounds and uses thereof 和记黄埔医药(上海)有限公司 2023-06-23 — — CN disclosed
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 — — WO disclosed
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