SCHEMBL9302971

SCHEMBL9302971

CCOC(=O)c1cccc(Cc2nc3ccccc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 3/20 0.58
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL9302827 0.86 MAPT (0.71) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6171488 0.84 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6171495 0.84 GAA (0.59) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL10475479 0.84 GAA (0.66) RAB9ANPC1ALDH1A1GAASMN1; SMN2
SCHEMBL9303210 0.82 MAPT (0.59) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL9304019 0.82 MAPT (0.59) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6367489 0.82 SIRT2 (0.49) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6367485 0.82 SIRT2 (0.60) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL9301797 0.81 RAB9A (0.58) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL7260144 0.80 POLB (0.58) MAPTRAB9ANPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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