SCHEMBL4268093

SCHEMBL4268093

O=C(O)C=CC1=C(Br)c2ccccc2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
Methylpiperazine SCHEMBL4565823 0.87 MAPK1 (0.47) MITFHSP90AA1RAB9AHDAC3TNKS
Methylpiperazine SCHEMBL4551422 0.87 MAPK1 (0.47) MITFHSP90AA1RAB9AHDAC3TNKS
SCHEMBL4551139 0.81 ESR1 (0.50) MITFHSP90AA1RAB9AHDAC3TNKS
SCHEMBL4264174 0.81 ESR1 (0.50) MITFHSP90AA1RAB9AHDAC3TNKS
SCHEMBL4266901 0.81 RAB9A (0.48) MITFHSP90AA1RAB9AHDAC3TNKS
SCHEMBL4419566 0.80 CES1 (0.37) MITFHSP90AA1RAB9AMEN1MAPT
SCHEMBL4270390 0.80 MEN1 (0.47) RAB9AMEN1MAPTMAPK1KMT2A
SCHEMBL4278133 0.80 L3MBTL1 (0.51) MITFHSP90AA1RAB9AKDM4EALDH1A1
SCHEMBL4273945 0.77 MITF (0.47) MITFHSP90AA1RAB9AHDAC3TNKS
SCHEMBL4270374 0.77 MITF (0.47) MITFHSP90AA1RAB9AHDAC3TNKS

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
WO-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO claimed
WO-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed