SCHEMBL13943613

SCHEMBL13943613

Cc1nn2c(=O)c3ccccc3[nH]c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ RNASEH1 O60930 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ HAVCR2 Q8TDQ0 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 1/20 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
SCHEMBL29956181 0.82 CYP1A2 (0.64) ADORA3ADORA2AADORA2BADORA1CA12
SCHEMBL13741240 0.77 CYP1A2 (0.42) ADORA3ADORA1HSD17B10ALDH1A1MEN1
SCHEMBL12756110 0.75 HPGD (0.70) ALDH1A1KDM4ERAB9ACYP1A2HPGD
SCHEMBL9217948 0.72 ALDH1A1 (0.62) ADORA3ADORA2AADORA2BADORA1CA12
SCHEMBL16046368 0.67 CYP2A6 (0.42) ADORA3ADORA2AADORA2BADORA1CA12
SCHEMBL6342517 0.66 HPGD (0.42) ADORA3HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL28784055 0.66 DAO (0.62) CA12CA9HSD17B10ALDH1A1MEN1
SCHEMBL20427595 0.66 ALDH1A1 (0.40) ADORA3ADORA2AADORA2BADORA1CA12
SCHEMBL16046587 0.66 KDM4D (0.50) ADORA3ADORA2AADORA2BADORA1CA12
SCHEMBL7135462 0.66 ALDH1A1 (0.51) ADORA3ADORA2AADORA2BADORA1CA12

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-20090022047-A1 OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION FUJIFILM CORPORATION (JP) 2009-01-22 — — US disclosed
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