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Sugi Predict / Compounds / SCHEMBL6687019

SCHEMBL6687019

SCHEMBL6687019

COc1cc(NC(=O)Nc2cc(Br)c(O)c(Br)c2)cc(OC)c1OC.COc1cccc(NC(=O)Nc2cc(Br)c(O)c(Br)c2)c1.Cc1cccc(C)c1NC(=O)Nc1cc(Br)c(O)c(Br)c1.Cc1ccccc1NC(=O)Nc1cc(Br)c(O)c(Br)c1.N#Cc1ccc(NC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1.O=C(Nc1cc(Br)c(O)c(Br)c1)NC1CCCCC1.O=C(Nc1cc(Br)c(O)c(Br)c1)Nc1ccc2c(c1)OCO2.O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ P2RY1 P47900 4/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6251538 0.87 NPC1 (0.42) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6252255 0.86 P2RY1 (0.33) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6685135 0.86 P2RY1 (0.36) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6251482 0.80 RAB9A (0.51) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL6684172 0.78 EPHX2 (0.36) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6685856 0.76 P2RY1 (0.36) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6251451 0.75 EPHX2 (0.49) NPC1RAB9AEPHX2EPHX1P2RY1
SCHEMBL6684479 0.74 EPHX2 (0.39) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL6682615 0.74 RAB9A (0.56) NPC1RAB9AKMT2AMEN1P2RY1
SCHEMBL6251322 0.72 RAB9A (0.51) NPC1RAB9AKMT2AMEN1TP53

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
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 — — WO claimed