SCHEMBL28291470

SCHEMBL28291470

COc1ccc(N(Cc2c[c]ccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ LTA4H P09960 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
SCHEMBL28291464 0.86 BCL2A1 (0.44) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL28291521 0.86 ALDH1A1 (0.42) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4845293 0.74 TSHR (0.41) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL27827514 0.73 LTA4H (0.55) RAB9ANPC1LMNANPSR1ALDH1A1
SCHEMBL1120979 0.72 LMNA (0.51) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL7215264 0.71 LTA4H (0.63) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL31308090 0.68 MEN1 (0.51) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL3842580 0.68 ALDH1A1 (0.52) MEN1KMT2ARAB9AALDH1A1LTA4H
SCHEMBL30056198 0.68 CA1 (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL8908075 0.68 LTA4H (0.57) MEN1KMT2ACNR1CNR2LTA4H

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
CN-107337663-B A kind of preparation method of thio three ketene compound of loop coil of visible light-inducing 3- 曲阜师范大学 2019-09-17 — — CN disclosed
CN-107141248-B A kind of method of visible light catalytic synthesis three ketene compound of 3- sulfuryl loop coil 曲阜师范大学 2019-04-30 — — CN disclosed
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