SCHEMBL16024940

SCHEMBL16024940

Cc1cc(Br)c(N=O)cc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL14048728 0.88 LMNA (0.39) LMNAHTT
SCHEMBL19513492 0.81 LMNA (0.38) TSHRLMNAHTTCYP3A4MAPK1
SCHEMBL14074306 0.78 — —
SCHEMBL23898990 0.75 LMNA (0.47) LMNAHTTCYP3A4
SCHEMBL12722836 0.73 GSK3B (0.35) TSHRLMNAHTTCYP3A4
SCHEMBL27874098 0.71 NPC1 (0.38) LMNAHTTMAPK1
SCHEMBL1135594 0.71 TSHR (0.44) TSHRLMNACYP3A4MAPK1
SCHEMBL29637482 0.71 TSHR (0.44) TSHRLMNACYP3A4MAPK1
SCHEMBL3279189 0.70 MAPT (0.39) LMNAHTTCYP3A4MAPK1
SCHEMBL18975227 0.69 LMNA (0.33) TSHRLMNAHTT

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
WO-2014137719-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 — — WO disclosed
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