SCHEMBL18872377

SCHEMBL18872377

CC(C)(CN)Oc1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ TPO P07202 1/20 0.39
▸ EPX P11678 1/20 0.39
▸ LPO P22079 1/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ SCN10A Q9Y5Y9 3/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 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
SCHEMBL610781 0.81 MCHR1 (0.38) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL17471316 0.81 NOS3 (0.45) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL16964110 0.79 MPO (0.37) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL13835368 0.77 ACVR1 (0.41) KDM4EHSD17B10MPOTPOEPX
SCHEMBL29603339 0.73 ALOX5AP (0.49) HSD17B10NOS3NOS2MPOTPO
SCHEMBL2305476 0.73 ALOX5AP (0.49) HSD17B10NOS3NOS2MPOTPO
Hydrochloric Acid SCHEMBL27039157 0.72 ALOX5AP (0.48) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL7099252 0.71 CHRNB2 (0.45) KCNH2
SCHEMBL625665 0.71 KDM4E (0.40) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL30699249 0.71 KDM4E (0.40) KDM4EHSD17B10NOS3NOS2MPO

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
CN-116600810-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 — — CN disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
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