SCHEMBL27547745

SCHEMBL27547745

CC(NC(=N)N)C(=O)Oc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL27260088 0.83 MAPK1 (0.47) CYP1A2GAAMAPTRECQLKMT2A
SCHEMBL27678742 0.82 PLAU (0.45) RECQLKMT2AALDH1A1KDM4ELMNA
SCHEMBL28742891 0.80 ALOX5 (0.47) —
SCHEMBL19748762 0.78 CYP1A2 (0.50) HSD17B10CYP1A2GAAMAPTRECQL
SCHEMBL9304892 0.78 CYP1A2 (0.53) HSD17B10CYP1A2GAAMAPTRECQL
SCHEMBL27400964 0.75 KMT2A (0.47) HSD17B10CYP1A2GAAMAPTRECQL
SCHEMBL28537560 0.74 KMT2A (0.59) HSD17B10CYP1A2GAAMAPTRECQL
SCHEMBL27552377 0.73 KDM4E (0.50) HSD17B10CYP1A2GAAMAPTRECQL
SCHEMBL5171388 0.72 KMT2A (0.73) CYP1A2GAAMAPTRECQLKMT2A
SCHEMBL15134857 0.71 KMT2A (0.51) HSD17B10CYP1A2GAAMAPTRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1291979-C Imidazole compounds and their use as adenosine deaminase inhibitors JUJISAWA PHARAMCEUTICAL CO LTD (JP) 2006-12-27 — — CN disclosed
CN-1319095-A Imidazole compounds and their use as adenosine deaminase inhibitors JUJISAWA PHARAMCEUTICAL CO LTD (JP) 2001-10-24 — — CN disclosed
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