SCHEMBL11624006

SCHEMBL11624006

CC(C)c1c[nH]nc1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.39
IDO1 P14902 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.38
LDHA P00338 1/20 0.38
HTR7 P34969 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
HSD11B1 P28845 1/20 0.36
PIK3CD O00329 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARD Q03181 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL6846876 0.79 KMT2A (0.44) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL8886353 0.78 IDO1 (0.46) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL31310138 0.77 IDO1 (0.44) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL11621963 0.75 HSP90AA1 (0.46) KDM5BIDO1MAPTATMALDH1A1
SCHEMBL11967290 0.75 POLB (0.41) KDM5BIDO1DCUN1D1LDHAHTR7
SCHEMBL11622031 0.75 DHFR (0.38) LMNA
SCHEMBL8883443 0.74 IDO1 (0.42) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL11624756 0.73 HSP90AA1 (0.45) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL15182935 0.73 IDO1 (0.39) IDO1DCUN1D1LDHAHTR7KMT2A
SCHEMBL19237523 0.72 GCGR (0.41) KDM5BDCUN1D1MAPTL3MBTL1NOTUM

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-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed