SCHEMBL13759271

SCHEMBL13759271

CCCNc1cc(N/N=C/c2cc(C)ccc2O)nc(OCCNC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HTT P42858 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ LMNA P02545 5/20 0.35
▸ POLB P06746 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ NFKB1 P19838 3/20 0.34
▸ NFKB2 Q00653 3/20 0.34
▸ RELA Q04206 3/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 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
SCHEMBL10196867 0.79 FES (0.41) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL1602848 0.79 FES (0.41) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL13759268 0.74 PIKFYVE (0.46) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL14530768 0.72 ESR1 (0.37) L3MBTL1
SCHEMBL14530003 0.70 FES (0.45) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL430704 0.69 SYK (0.44) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL10198817 0.69 SYK (0.44) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL430705 0.69 SYK (0.44) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL14530781 0.69 FES (0.40) GAAKMT2ARAB9ANPC1KDM4E
SCHEMBL427676 0.69 FES (0.42) GAAKMT2ARAB9ANPC1KDM4E

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-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 — — WO disclosed
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