SCHEMBL4268501

SCHEMBL4268501

O=C(C=CC1=Cc2ccccc2CC1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
BCHE P06276 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
SCHEMBL4264341 0.94 MEN1 (0.47) GPR183MEN1KMT2AHPGDALDH1A1
SCHEMBL4264349 0.79 HCAR2 (0.44) GPR183HPGDALDH1A1MAPTL3MBTL1
SCHEMBL4270776 0.79 HCAR2 (0.44) GPR183HPGDALDH1A1MAPTL3MBTL1
SCHEMBL4270404 0.76 KMT2A (0.55) MEN1KMT2AHPGDALDH1A1MAPT
Pyrrole SCHEMBL4268503 0.72 HDAC3 (0.38) GPR183MEN1KMT2AHPGDALDH1A1
SCHEMBL6785483 0.72 KMT2A (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2531349 0.72 GPR84 (0.41) GPR183
SCHEMBL2531348 0.72 GPR84 (0.41) GPR183
SCHEMBL4544261 0.71 HPGD (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL4544262 0.71 HPGD (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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