SCHEMBL8123589

SCHEMBL8123589

CCc1c(C)nc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CRHR1 P34998 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TLR8 Q9NR97 5/20 0.34
▸ TLR7 Q9NYK1 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 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
SCHEMBL8127865 0.82 LMNA (0.39) SMN1; SMN2CRHR1TSHRMAPTNR3C1
SCHEMBL7831685 0.80 KDM4E (0.43) ESR1SMN1; SMN2TLR7KDM4EGAA
SCHEMBL8124811 0.75 ESR1 (0.40) ESR1SMN1; SMN2TSHRTLR7MAPT
SCHEMBL14340740 0.74 TLR8 (0.37) CRHR1TSHRTLR8TLR7KDM4E
SCHEMBL12245207 0.71 ACP1 (0.43) ESR1SMN1; SMN2TLR7KDM4EMAPT
SCHEMBL14078885 0.69 ACP1 (0.43) ESR1TLR7KDM4EMAPTMEN1
SCHEMBL12296904 0.68 ACP1 (0.42) ESR1SMN1; SMN2TLR7KDM4EMAPT
SCHEMBL12245264 0.67 KDM4E (0.59) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL1140629 0.66 PIK3CA (0.31) —
SCHEMBL8121147 0.64 TLR7 (0.41) SMN1; SMN2TSHRTLR7HTT

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-0708772-B1 IMIDAZO [4,5-c]PYRIDIN-4-AMINES MINNESOTA MINING & MFG (US) 2000-08-23 — — EP disclosed
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