SCHEMBL4213686

SCHEMBL4213686

Fc1ccc(C2C#CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
ATM Q13315 1/20 0.40
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.34
LIG1 P18858 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
PRCP P42785 1/20 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
SCHEMBL19808987 0.78 LMNA (0.38) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL19119387 0.76 HTR2A (0.42) KDM1ASLC6A2HTR2AHTR2CSLC6A4
SCHEMBL1066184 0.65 KDM1A (0.48) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL18161913 0.65 KDM1A (0.48) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL353495 0.62 ESR2 (0.47) KDM1AATM
SCHEMBL4038924 0.62 KDM1A (0.44) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL937356 0.62 TSHR (0.56) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL2114415 0.62 KDM1A (0.44) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL779666 0.62 ATM (0.46) KDM1AATMSLC6A2HTR2AHTR2C
SCHEMBL4766149 0.62 KDM1A (0.39) KDM1AATMSLC6A2HTR2AHTR2C

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed