SCHEMBL21300883

SCHEMBL21300883

N/C=N\N=C(/N)c1ccc(CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 6/20 0.47
▸ F10 P00742 1/20 0.47
▸ HDAC3 O15379 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ NOS3 P29474 2/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ ABAT P80404 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ST14 Q9Y5Y6 2/20 0.37
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ F11 P03951 1/20 0.34

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
SCHEMBL23031867 0.80 CA2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL22815269 0.79 KDM1A (0.48) —
SCHEMBL23031880 0.78 ALDH1A1 (0.35) ST14F2PRSS1PRSS2PRSS3
SCHEMBL23031869 0.78 PARP1 (0.36) HDAC6
SCHEMBL13978225 0.77 HDAC3 (0.40) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL22043779 0.77 CYP2D6 (0.47) HDAC6PLAU
SCHEMBL22044273 0.77 GRIN2B (0.44) NOS3NOS1PLAU
SCHEMBL18891357 0.76 KMT2A (0.48) F10F2
SCHEMBL23031878 0.76 LMNA (0.44) —
SCHEMBL23734498 0.76 NOS1 (0.55) LOXL2F10HDAC3HDAC6NCOR2

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
EP-2361098-B1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET MASSACHUSETTS GEN HOSPITAL (US) 2019-08-28 — — EP disclosed
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