SCHEMBL11560504

SCHEMBL11560504

Cc1cccc(-c2nc(C)c3cn[nH]c(=O)n23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
MAPK14 Q16539 2/20 0.42
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
MAPT P10636 2/20 0.40
TYMP P19971 1/20 0.39
XDH P47989 1/20 0.39
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL11304872 0.87 PDE1A (0.46) MAPK14XDHCYP1A2PDE5APDE1A
SCHEMBL11559511 0.85 CYP1A2 (0.45) NOTUMMAPK14IDO1XDHCYP1A2
SCHEMBL11304795 0.75 APOBEC3G (0.44) NOTUMMAPTXDHKMT2ANPC1
SCHEMBL11318189 0.74 PDE5A (0.51) METAP2MAPTHPGDKMT2APDE5A
SCHEMBL7702569 0.74 XDH (0.33) XDHPARP10PDE5APDE1APDE1B
SCHEMBL11307473 0.74 NOTUM (0.43) NOTUMMAPTPDE5APDE1APDE1B
SCHEMBL11304796 0.71 PDE1A (0.45) MAPK14MAPTXDHHPGDCYP1A2
SCHEMBL11312714 0.71 PDE1A (0.45) MAPK14METAP2MAPTXDHHPGD
SCHEMBL11564715 0.71 PDE1A (0.39) MAPK14MAPTXDHHPGDCYP1A2
SCHEMBL11309222 0.70 AKT1 (0.40) HPGDPPARGNCOA2NCOA1KMT2A

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
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US claimed
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed