SCHEMBL6153935

SCHEMBL6153935

C=C(C)Cn1ncc(C(C)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 10/20 0.37
RAB9A P51151 7/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
MITF O75030 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1841049 0.84 MAPK1 (0.50) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL6155638 0.84 KMT2A (0.45) MAPK1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL334488 0.80 LMNA (0.54) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL1841148 0.80 RAB9A (0.44) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL13126455 0.77 MAPK1 (0.46) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL13126454 0.77 POLB (0.49) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL7179952 0.76 MAPK1 (0.45) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL6155240 0.76 MAPK1 (0.45) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL1841864 0.75 ALDH1A1 (0.44) MAPK1ALDH1A1KDM4ETDP1POLB
SCHEMBL14343976 0.72 MAPK1 (0.56) MAPK1ALDH1A1KDM4ETDP1POLB

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
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed