SCHEMBL22258286

SCHEMBL22258286

CCN(CC)c1ccc(NC(=O)c2n[nH]cc2NCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ NFKB2 Q00653 3/20 0.49
▸ RELA Q04206 3/20 0.49
▸ NOX1 Q9Y5S8 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GFER P55789 2/20 0.45

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
SCHEMBL22236104 0.87 RXFP1 (0.47) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL22235634 0.78 RXFP1 (0.46) TP53FLT1
SCHEMBL22235940 0.78 EGFR (0.65) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22236222 0.77 RXFP1 (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL22236099 0.77 NAMPT (0.53) MAPTNPC1RAB9ATP53MEN1
SCHEMBL22235681 0.77 FLT3 (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22236040 0.76 FLT1 (0.42) MAPTNPSR1FLT1KDM4E
SCHEMBL22236103 0.75 DDR1 (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22235858 0.74 NAMPT (0.46) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL13816814 0.73 FLT3 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
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