SCHEMBL4277757

SCHEMBL4277757

CC1=C(C=CC(=O)N2CCCC2)CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 9/20 0.45
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTAFR P25105 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL4423144 0.84 MAPT (0.49) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4270390 0.84 MEN1 (0.47) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4266901 0.80 RAB9A (0.48) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4277728 0.79 MEN1 (0.45) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4274751 0.79 MEN1 (0.45) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4551674 0.74 MAPT (0.37) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4272704 0.71 SMN1; SMN2 (0.47) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL4268501 0.70 GPR183 (0.49) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL791546 0.69 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL692257 0.69 MEN1 (0.90) HPGDKMT2AMEN1ALDH1A1MAPT

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