SCHEMBL7215522

SCHEMBL7215522

Cc1c(-n2ccnc2NC(C)c2ccc(Cl)cc2Cl)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.37
MDM2 Q00987 1/20 0.36
IDO1 P14902 2/20 0.36
IDH1 O75874 3/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HSP90AA1 P07900 2/20 0.35
POLB P06746 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
P2RX3 P56373 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 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
SCHEMBL7215726 0.87 OPRD1 (0.37) MDM2IDO1KMT2AMEN1HSP90AA1
SCHEMBL7216134 0.85 ATP1A1 (0.48) OPRD1OPRK1P2RX3ATP1A1ATP1B1
SCHEMBL7216328 0.80 GPR39 (0.43) KMT2AMEN1OPRD1OPRK1
SCHEMBL7217985 0.77 ATP1A1 (0.48) IDH1KMT2AMEN1OPRD1OPRK1
SCHEMBL7221629 0.76 ATP1A1 (0.51) KMT2AHSP90AA1OPRD1OPRK1RAB9A
SCHEMBL7222405 0.74 SMN1; SMN2 (0.46) KMT2APOLBOPRD1OPRK1RAB9A
SCHEMBL7215523 0.69 SOS1 (0.37) SOS1MDM2IDH1KMT2AMEN1
SCHEMBL7216242 0.68 ATP1A1 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7222468 0.68 OPRD1 (0.39) KMT2AMEN1OPRD1OPRK1ATP1A1
SCHEMBL7215976 0.66 GAA (0.44) KMT2AMEN1POLBOPRD1OPRK1

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