SCHEMBL7259455

SCHEMBL7259455

C[C@H](O)[C@@H](CCOc1cccc(-c2cc3ccccc3o2)c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
MKNK1 Q9BUB5 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ACHE P22303 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL7264648 0.89 BCHE (0.38) BCHEMKNK1SMN1; SMN2TP53NPC1
SCHEMBL7263079 0.83 TP53 (0.46) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7259234 0.82 FFAR4 (0.41) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL7259490 0.82 CNR1 (0.39) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL7263737 0.82 AVPR1B (0.41) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL7263757 0.81 HDAC1 (0.40) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7259376 0.81 MRGPRX4 (0.39) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL7259217 0.81 SMN1; SMN2 (0.41) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7258877 0.80 SMN1; SMN2 (0.40) SMN1; SMN2TP53NPC1RAB9AHPGD
SCHEMBL7258741 0.80 HSD17B1 (0.38) SMN1; SMN2TP53NPC1RAB9A

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
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO disclosed