SCHEMBL28801336

SCHEMBL28801336

NC(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.77
ALDH1A1 P00352 1/20 0.77
RAB9A P51151 6/20 0.73
NPC1 O15118 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.65
AVPR2 P30518 5/20 0.63
AVPR1A P37288 5/20 0.63
NAMPT P43490 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
OXTR P30559 2/20 0.59
STAT3 P40763 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59

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
SCHEMBL31680509 0.92 HPGD (0.90) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5243307 0.90 AVPR2 (0.80) ALDH1A1AVPR2AVPR1AOXTRCA1
SCHEMBL5783412 0.87 HPGD (1.00) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31556814 0.87 HPGD (1.00) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL22627393 0.82 HPGD (0.72) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9694078 0.81 HPGD (0.77) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL24157994 0.81 RAB9A (1.00) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5803986 0.81 HPGD (0.70) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL43169 0.80 NOTUM (0.68) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29443491 0.80 NOTUM (0.68) HPGDALDH1A1RAB9ANPC1SMN1; SMN2

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
CN-110520040-B Epidermis virtual reality device 西北大学 2022-05-31 CN disclosed