SCHEMBL8807641

SCHEMBL8807641

COc1cccc(Cc2nc3cc(N)ccc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2B Q13224 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
EGFR P00533 1/20 0.47
IGF1R P08069 1/20 0.47
DHFR P00374 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL31154394 0.86 NPC1 (0.59) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL14714338 0.86 NPC1 (0.59) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL29822900 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL27681975 0.84 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1LMNAGAA
SCHEMBL3762307 0.81 MAPT (0.76) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL24507643 0.81 MAPT (0.56) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL29615424 0.81 MAPT (0.56) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL6233917 0.81 MAPT (0.56) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL7916731 0.80 GRIN1 (0.68) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL23793903 0.78 MAPT (0.55) SMN1; SMN2MAPTRAB9ANPC1LMNA

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
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed