SCHEMBL28512358

SCHEMBL28512358

O=C(CNc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ AGTR1 P30556 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ AKR1C3 P42330 1/20 0.60
▸ GAA P10253 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL593746 0.88 AKR1C3 (0.73) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL11805893 0.84 RAB9A (0.65) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL6201893 0.84 ALDH1A1 (0.59) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL126366 0.81 MAOA (0.57) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL9768260 0.81 ERCC1 (0.60) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL4549456 0.80 NPC1 (0.55) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL9424289 0.80 NPC1 (0.68) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL26978298 0.80 PTPN1 (0.57) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL18306399 0.79 AKR1C3 (0.83) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1
SCHEMBL31722027 0.79 SMN1; SMN2 (0.71) RAB9AALDH1A1AGTR1SMN1; SMN2NPC1

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-112382193-A Optical anti-counterfeiting mark and preparation method thereof 复旦大学 2021-02-19 — — CN disclosed
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