SCHEMBL6466066

SCHEMBL6466066

CC1=C(C(=O)O)C(c2cccc(Cl)c2)NC(=O)N1CCCN(C)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
IDE P14735 1/20 0.38
HTT P42858 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
OPRK1 P41145 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 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
SCHEMBL6469218 0.89 HTT (0.44) TDP1RECQLALDH1A1LMNAKMT2A
SCHEMBL5563453 0.83 LPAR1 (0.37) HTTLPAR1LPAR5OPRK1OPRM1
SCHEMBL6463290 0.82 KMT2A (0.40) TDP1RECQLALDH1A1LMNAKMT2A
SCHEMBL6468914 0.82 ALDH1A1 (0.43) TDP1RECQLALDH1A1LMNAHTT
SCHEMBL5559322 0.80 ADRA1D (0.40) LPAR1LPAR5
SCHEMBL6463902 0.77 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL5563157 0.75 HTT (0.39) KMT2AMEN1HTTLPAR1LPAR5
SCHEMBL6468063 0.72 MCHR1 (0.38) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5568028 0.70 HTT (0.40) KMT2AMEN1HTTLPAR1LPAR5
SCHEMBL5569023 0.70 HTT (0.42) HTTLPAR1LPAR5

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-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO disclosed