SCHEMBL7215731

SCHEMBL7215731

CCC(Nc1nc(-c2ccc3ccccc3c2C)c[nH]1)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CTSA P10619 2/20 0.35
CRHR1 P34998 10/20 0.34
RAB9A P51151 1/20 0.33
MAPT P10636 3/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.32
IDO1 P14902 1/20 0.32
MGAM O43451 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
SCHEMBL7215523 0.87 SOS1 (0.37) KMT2AMEN1CRHR1MAPTMITF
SCHEMBL7221634 0.86 ATP1A1 (0.37) KMT2AMEN1CTSAMAPK1AR
SCHEMBL7222469 0.78 CDK2 (0.34) KMT2AMEN1MAPTLMNAHTT
SCHEMBL7216330 0.78 CD38 (0.40) KMT2AMEN1MAPTLMNATDP1
SCHEMBL7216137 0.77 PDE9A (0.37) KMT2AMAPTNPSR1KDM4EAR
SCHEMBL7222409 0.73 APP (0.39) KMT2ARAB9AMAPTLMNASMN1; SMN2
SCHEMBL7215726 0.71 OPRD1 (0.37) KMT2AMEN1CRHR1RAB9ALMNA
SCHEMBL7217987 0.68 CCNE2 (0.40) KMT2AMEN1GAA
SCHEMBL27592593 0.67 PTPN1 (0.46) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL7215736 0.65 ATP1A1 (0.36) CTSARAB9AIDO1

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed