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SCHEMBL6250102

SCHEMBL6250102

N#Cc1ccc(NC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1.O=C(NCC1CCCCC1)Nc1cc(Br)c(O)c(Br)c1.O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1cc(Br)c(O)c(Br)c1)NC1CCCCC1.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)c(O)c(Br)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.44
▸ EPHX1 P07099 6/20 0.43
▸ FAAH O00519 2/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL6699059 0.87 EPHX2 (0.39) EPHX2EPHX1FAAH
SCHEMBL6668636 0.86 MTOR (0.48) EPHX2EPHX1USP30NAMPTMCHR1
SCHEMBL6685856 0.80 P2RY1 (0.36) EPHX2MCHR1NPC1RAB9A
SCHEMBL6249425 0.79 EPHX2 (0.54) EPHX2EPHX1FAAHALDH1A1NPC1
SCHEMBL6251215 0.76 EPHX2 (0.51) EPHX2EPHX1FAAHALDH1A1NPC1
SCHEMBL6672200 0.70 MTOR (0.46) EPHX2EPHX1USP30NAMPTPOLB
SCHEMBL6684479 0.69 EPHX2 (0.39) EPHX2EPHX1NPC1RAB9A
SCHEMBL4350068 0.68 MTOR (0.67) EPHX2NAMPTMCHR1SMN1; SMN2MTOR
SCHEMBL6251451 0.67 EPHX2 (0.49) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6226495 0.67 CHRNA7 (0.51) EPHX2EPHX1NAMPTNPC1RAB9A

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