SCHEMBL31019757

SCHEMBL31019757

CC(C)(C)OP(=O)(OC(C)(C)C)c1ccc(CN)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PSIP1 O75475 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ABAT P80404 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35

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
SCHEMBL31019843 0.79 LOXL2 (0.38) LOXL2HRH3PSIP1ANPEPERAP2
SCHEMBL11448211 0.78 HPGD (0.48) HDAC6CA1CA12MAPTSMN1; SMN2
SCHEMBL30485628 0.73 ALDH1A1 (0.42) MAPTKDM4ESMN1; SMN2
SCHEMBL18539752 0.73 HRH3 (0.46) LOXL2HRH3PSIP1ANPEPERAP2
SCHEMBL31019800 0.72 KIF11 (0.40) LOXL2CA1CA2CA12CA6
SCHEMBL28858779 0.71 PSIP1 (0.42) LOXL2HRH3PSIP1ANPEPERAP2
SCHEMBL440121 0.70
SCHEMBL28834595 0.70 L3MBTL1 (0.66) LOXL2ANPEPCA1CA2CA12
SCHEMBL13538144 0.69 CA2 (0.48) LOXL2HRH3ANPEPERAP2HDAC3
SCHEMBL11455542 0.68 MAPT (0.38) ANPEPERAP2CA1CA2CA9

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-2024149239-A1 HETEROAROMATIC CYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2024-07-18 WO disclosed