SCHEMBL16908880

SCHEMBL16908880

CNC(=O)OC1(c2ccc(Br)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.40
▸ MAPK1 P28482 1/20 0.36
▸ HDAC1 Q13547 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL17674529 0.84 KMT2A (0.45) FPR2MAPK1HDAC1MEN1KMT2A
SCHEMBL27853655 0.83 OPRM1 (0.41) MAPK1MEN1KMT2AGAAALDH1A1
SCHEMBL11553511 0.81 DRD2 (0.38) MAPK1HDAC1MEN1KMT2ACA1
SCHEMBL4697560 0.79 CA1 (0.38) MAPK1HDAC1CA1CA2LMNA
SCHEMBL27788488 0.78 KMT2A (0.43) FPR2MAPK1HDAC1MEN1KMT2A
SCHEMBL20790320 0.78 HDAC1 (0.45) HDAC1MEN1KMT2ANPC1RAB9A
SCHEMBL2720401 0.77 CA1 (0.37) FPR2MAPK1HDAC1MEN1KMT2A
SCHEMBL19029456 0.76 HDAC6 (0.33) HDAC1ALDH1A1
SCHEMBL16908889 0.75 CA1 (0.40) CA1CA2
SCHEMBL27970983 0.75 ALDH1A1 (0.39) MAPK1HDAC1MEN1KMT2ACA1

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
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 — — EP disclosed
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