SCHEMBL28130892

SCHEMBL28130892

[CH]=Cc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.66
▸ RAB9A P51151 11/20 0.66
▸ GAA P10253 1/20 0.66
▸ KDM4E B2RXH2 11/20 0.63
▸ ALDH1A1 P00352 10/20 0.63
▸ SMN1; SMN2 Q16637 9/20 0.63
▸ HPGD P15428 5/20 0.63
▸ MAPT P10636 4/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ TP53 P04637 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ GFER P55789 1/20 0.63
▸ PKN1 Q16512 1/20 0.60
▸ PKN2 Q16513 1/20 0.60
▸ PKM P14618 6/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ KMT2A Q03164 2/20 0.55
▸ MMP2 P08253 1/20 0.55

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
SCHEMBL8388879 0.86 NPC1 (0.70) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL8931082 0.86 NPC1 (0.70) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL29386825 0.86 NPC1 (0.88) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2178266 0.86 NPC1 (0.88) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL24295036 0.84 NPC1 (0.84) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2617477 0.83 NPC1 (0.66) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL10609442 0.83 NPC1 (0.66) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL22499602 0.82 NPC1 (0.81) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2252555 0.80 NPC1 (0.92) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL105095 0.80 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1

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-104254442-B GAS BARRIER FILM, SUBSTRATE FOR ELECTRONIC DEVICE, AND ELECTRONIC DEVICE 柯尼卡美能达株式会社 2017-02-22 — — CN disclosed
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