SCHEMBL4264341

SCHEMBL4264341

O=C(C=CC1=Cc2ccccc2CC1)N1CCCC1.O=C(C=CC1=Cc2ccccc2CC1)N1CCCCC1.O=C(O)C=CC1=Cc2ccccc2CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR183 P32249 1/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 7/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL4268501 0.94 GPR183 (0.49) MEN1KMT2AGPR183ALDH1A1SMN1; SMN2
SCHEMBL4270776 0.85 HCAR2 (0.44) GPR183ALDH1A1MAPTRAB9AHPGD
SCHEMBL4264349 0.85 HCAR2 (0.44) GPR183ALDH1A1MAPTRAB9AHPGD
Pyrrole SCHEMBL4268503 0.78 HDAC3 (0.38) MEN1KMT2AGPR183ALDH1A1RAB9A
SCHEMBL4277728 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL692605 0.71 MEN1 (0.87) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28112899 0.71 MEN1 (0.87) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL692500 0.71 MEN1 (0.87) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL692499 0.71 MEN1 (0.87) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4270404 0.71 KMT2A (0.55) MEN1KMT2AALDH1A1MAPTHPGD

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