SCHEMBL24514392

SCHEMBL24514392

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 5/20 0.59
▸ F10 P00742 1/20 0.59
▸ NOS1 P29475 5/20 0.46
▸ NOS2 P35228 5/20 0.46
▸ NOS3 P29474 3/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.45
▸ PLAU P00749 2/20 0.41
▸ ABAT P80404 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21262437 0.78 NQO2 (0.41) NOS1NOS2NOS3PLAUPRSS1
SCHEMBL24620530 0.77 LOXL2 (0.64) LOXL2F10NOS1NOS2NOS3
SCHEMBL24964824 0.76 LMNA (0.54) PLAUSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL49594 0.74 LOXL2 (1.00) LOXL2F10ST14PLAUABAT
Hydrochloric Acid SCHEMBL1981173 0.73 LOXL2 (0.95) LOXL2F10ST14PLAUPRSS1
Hydrochloric Acid SCHEMBL322008 0.73 LOXL2 (0.95) LOXL2F10ST14PLAUPRSS1
SCHEMBL22143896 0.69 TSHR (0.55) NOS1ALDH1A1
SCHEMBL3191980 0.69 LOXL2 (0.48) LOXL2F10NOS1NOS2NOS3
SCHEMBL21697117 0.69 LOXL2 (0.52) LOXL2F10NOS1NOS2NOS3
SCHEMBL20880151 0.69 LOXL2 (0.64) LOXL2F10NOS1NOS2NOS3

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-2022125804-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 — — WO disclosed
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