SCHEMBL27699962

SCHEMBL27699962

c1c[nH]c(Cc2cccc3nccnc23)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 3/20 0.32
ADRA2C P18825 2/20 0.32
ADRA2B P18089 1/20 0.32
MAPK8 P45983 3/20 0.32
MAPK9 P45984 3/20 0.32
MAPK10 P53779 3/20 0.32
CISD1 Q9NZ45 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9864182 0.81 PSMD14 (0.44) MAPTPOLBKDM4EMEN1ALDH1A1
SCHEMBL7073450 0.73 PAX8 (0.45) MAPTPOLBKDM4EMEN1USP2
SCHEMBL25846851 0.70 LOXL2 (0.52) MAPTPOLBKDM4EMEN1USP2
SCHEMBL30002633 0.70 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL8596016 0.70 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL3820241 0.70 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL2340487 0.70 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL7119359 0.70 ALDH1A1 (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL18617684 0.70 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2
SCHEMBL5545797 0.69 MAPT (0.48) MAPTPOLBKDM4EMEN1USP2

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
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed