SCHEMBL8477183

SCHEMBL8477183

CCCc1[c]nc(OC)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM5B Q9UGL1 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
HPGD P15428 3/20 0.32

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
SCHEMBL8474322 0.88 MAPT (0.37) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL8480049 0.87 PDE4B (0.36) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL8474672 0.87 NPC1 (0.34) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8475225 0.87 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8478772 0.80 BRD4 (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8474820 0.78 DHFR (0.41) MAPTNPC1RAB9ASMN1; SMN2KDM5B
SCHEMBL8479871 0.76 MAPT (0.40) MAPTCASP1NPC1RAB9ASMN1; SMN2
SCHEMBL8474655 0.74 HEXA (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8478542 0.74 PTGS2 (0.47) MAPTKMT2AGAA
SCHEMBL8478757 0.72 MAPT (0.44) MAPTNPC1RAB9AKMT2ACYP1A2

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed