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SCHEMBL6252255

SCHEMBL6252255

COc1cc(NC(=O)Nc2cc(Br)cc(F)c2O)cc(OC)c1OC.COc1cccc(NC(=O)Nc2cc(Br)cc(F)c2O)c1.Cc1cccc(C)c1NC(=O)Nc1cc(Br)cc(F)c1O.Cc1ccccc1NC(=O)Nc1cc(Br)cc(F)c1O.N#Cc1ccc(NC(=O)Nc2cc(Br)cc(F)c2O)cc1.O=C(Nc1cc(Br)cc(F)c1O)NC1CCCCC1.O=C(Nc1cc(Br)cc(F)c1O)Nc1cccc2ccccc12.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Br)cc(F)c1O.O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)cc(F)c1O.O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Br)cc(F)c1O.O=C(Nc1ccc2c(c1)OCO2)Nc1cc(Br)cc(F)c1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 10/20 0.33
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL6685135 0.89 P2RY1 (0.36) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6687019 0.86 NPC1 (0.40) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6684172 0.84 EPHX2 (0.36) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6251538 0.82 NPC1 (0.42) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6685856 0.81 P2RY1 (0.36) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6251451 0.77 EPHX2 (0.49) P2RY1NPC1RAB9AEPHX2EPHX1
SCHEMBL6684479 0.77 EPHX2 (0.39) P2RY1NPC1RAB9AKMT2AEPHX2
SCHEMBL6251482 0.75 RAB9A (0.51) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL6251322 0.75 RAB9A (0.51) NPC1RAB9AKMT2AMEN1TRPV1
SCHEMBL6682524 0.72 EPHX2 (0.34) P2RY1NPC1RAB9AKMT2AEPHX2

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
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 — — EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 — — WO claimed