SCHEMBL6518329

SCHEMBL6518329

Cc1ccc(C)c(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEP1B Q16820 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
SLC1A5 Q15758 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTPN1 P18031 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NCOR2 Q9Y618 2/20 0.36

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
SCHEMBL6510314 0.91 HPGD (0.40) MEP1BMAPTSLC1A5MAPK1HTR2C
SCHEMBL6509442 0.91 RAB9A (0.41) RAB9AMEP1BSLC1A5HTR2CHTR6
SCHEMBL6511703 0.91 NPC1 (0.40) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6510768 0.90 ALDH1A1 (0.43) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6510304 0.86 EGFR (0.42) NPC1MEP1BMEN1KMT2AMAPT
SCHEMBL6510202 0.85 NPC1 (0.41) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6507755 0.84 MAPK1 (0.38) MEP1BMEN1KMT2AMAPTMAPK1
SCHEMBL6509305 0.83 ALDH1A1 (0.38) NPC1RAB9AMEP1BMEN1KMT2A
SCHEMBL6508797 0.82 ALDH1A1 (0.42) MEP1BMEN1KMT2AMAPTPTPN1
SCHEMBL6508460 0.82 HTR2C (0.36) MEP1BMEN1KMT2AMAPTHTR2C

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed