SCHEMBL27355461

SCHEMBL27355461

Cc1c(CNC(=O)CN(C)C)ccc2c1COC(NCCc1ccccc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.38
PRSS1 P07477 6/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27355463 0.87 CTRB1 (0.38) ALDH1A1MEN1KMT2ANPC1
SCHEMBL27364669 0.79 NPC1 (0.34) F2PRSS1ALDH1A1HPGDMEN1
SCHEMBL27381422 0.79 LTA4H (0.39) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL27363422 0.78 KMT2A (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL27362428 0.75 PKM (0.35) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL27383640 0.74 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL27357166 0.74 ATM (0.44) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL27362385 0.71 TAAR1 (0.37) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL6803206 0.71 CTRB1 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL13073723 0.68 MEN1 (0.63) ALDH1A1HPGDMEN1KMT2ARAB9A

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
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed