SCHEMBL23396985

SCHEMBL23396985

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.38
▸ F10 P00742 1/20 0.38
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ ABAT P80404 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ F11 P03951 1/20 0.31
▸ ST14 Q9Y5Y6 2/20 0.30

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
SCHEMBL29720126 0.78 MEN1 (0.36) SMN1; SMN2
SCHEMBL2399333 0.70 LOXL2 (0.52) LOXL2F10NOS3NOS1NOS2
SCHEMBL27913568 0.69 LOXL2 (0.50) LOXL2F10NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6442361 0.69 LOXL2 (0.50) LOXL2F10NOS3NOS1NOS2
SCHEMBL19774621 0.67 ALDH1A1 (0.41) KDM4ESMN1; SMN2
SCHEMBL28049358 0.67 LOXL2 (0.52) LOXL2F10NOS3NOS1NOS2
SCHEMBL25704003 0.66 ALDH1A1 (0.47) PLAUSMN1; SMN2THRATHRB
SCHEMBL27499995 0.66 LOXL2 (0.56) LOXL2F10NOS3NOS1NOS2
SCHEMBL28159710 0.66 LOXL2 (0.56) LOXL2F10NOS3NOS1NOS2
SCHEMBL8015926 0.66 NOS1 (0.38) LOXL2F10NOS3NOS1NOS2

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-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 — — EP disclosed
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