SCHEMBL7215523

SCHEMBL7215523

Cc1c(-c2c[nH]c(NC(C)c3ccc(Cl)cc3Cl)n2)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.37
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
AR P10275 2/20 0.34
IDH1 O75874 2/20 0.34
MDM2 Q00987 1/20 0.32
CRHR1 P34998 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALPL P05186 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 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
SCHEMBL7215731 0.87 KMT2A (0.35) KMT2AMEN1ARCRHR1LMNA
SCHEMBL7216137 0.85 PDE9A (0.37) KMT2AARMAPTNPSR1GAA
SCHEMBL7216330 0.78 CD38 (0.40) KMT2AMEN1LMNAMAPT
SCHEMBL7217987 0.77 CCNE2 (0.40) SOS1KMT2AMEN1GAA
SCHEMBL7221634 0.76 ATP1A1 (0.37) KMT2AMEN1ARMAPK1MGAM
SCHEMBL7222409 0.73 APP (0.39) KMT2ALMNAMAPTSMN1; SMN2POLB
SCHEMBL7215522 0.69 SOS1 (0.37) SOS1KMT2AMEN1IDH1MDM2
SCHEMBL27592593 0.69 PTPN1 (0.46) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7222469 0.68 CDK2 (0.34) KMT2AMEN1ARLMNAHTT
SCHEMBL7215977 0.65 NTRK1 (0.39) KMT2AMEN1LMNAHTTMAPT

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