SCHEMBL9302835

SCHEMBL9302835

O=C(NC1CCCCC1)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALOX12 P18054 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL9303111 0.88 LMNA (0.53) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7274899 0.81 ALDH1A1 (0.68) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9302033 0.79 HPGD (0.60) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14432225 0.79 MAOA (0.46) HPGDLMNASMN1; SMN2RAB9APKM
SCHEMBL9302802 0.78 LMNA (0.53) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL9303272 0.78 HPGD (0.58) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2881710 0.77 GAA (0.71) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9302508 0.76 GAA (0.69) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9302456 0.76 GAA (0.65) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6262306 0.75 PKM (0.73) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed