SCHEMBL10397003

SCHEMBL10397003

COc1cccc(N(c2cccc(OC)c2)c2ccccc2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.47
▸ MTNR1B P49286 4/20 0.47
▸ HSD17B2 P37059 2/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TOP1 P11387 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL3485312 0.92 MTNR1A (0.42) MTNR1AMTNR1BHSD17B2HSD17B1ALDH1A1
SCHEMBL3952524 0.88 MTNR1A (0.43) MTNR1AMTNR1BHSD17B2HSD17B1KDM4E
SCHEMBL6778756 0.86 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1KDM4E
SCHEMBL28209766 0.85 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1ALDH1A1
SCHEMBL9763801 0.84 ABL1 (0.50) MTNR1AMTNR1BKDM4EGAAL3MBTL1
SCHEMBL30501493 0.82 ABL1 (0.47) KDM4EGAAL3MBTL1LMNATDP1
SCHEMBL9581099 0.80 HSD17B2 (0.50) MTNR1AMTNR1BHSD17B2HSD17B1KMT2A
SCHEMBL15038388 0.80 MGLL (0.38) L3MBTL1LMNAMAPK1HTTALDH1A1
SCHEMBL20386564 0.79 CA4 (0.52) MTNR1AMTNR1BHSD17B2HSD17B1ALDH1A1
SCHEMBL13292373 0.79 BACE1 (0.38) MAPK1HTTALDH1A1KMT2ABACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959288-A Photoconductive imaging members with diaryl biarylylamine copolymer charge transport layers XEROX CORPORATION (US) 1990-09-25 — — US disclosed
US-4946754-A Photoconductive imaging members with diaryl biarylylamine charge transporting components XEROX CORPORATION (US) 1990-08-07 — — US disclosed
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