SCHEMBL11070944

SCHEMBL11070944

COc1ccccc1[CH]c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ NFE2L2 Q16236 5/20 0.51
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TRPA1 O75762 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SYK P43405 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ INCENP Q9NQS7 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TFEB P19484 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL19076160 0.86 NPC1 (0.74) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL28249887 0.83 KDM4E (0.57) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL240090 0.78 CA1 (0.60) KDM4ERAB9ANPC1MAPTMAPK1
SCHEMBL3818033 0.76 NPC1 (0.52) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL10483258 0.74 NPC1 (0.50) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL41190 0.73 RAB9A (0.74) KDM4ERAB9ANPC1MAPK1KMT2A
SCHEMBL19076184 0.73 NFE2L2 (0.59) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL28347777 0.73 NFE2L2 (0.59) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL14401506 0.72 MAPT (0.61) KDM4ERAB9ANPC1MAPTGAA
SCHEMBL16098068 0.71 NR4A1 (0.54) KDM4ERAB9ANPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426521-A LOCAL ANESTHETIC, ANTISECRETORY, DIURETIC, ANTIDEPRESSANT EISAI CO., LTD. (JP) 1984-01-17 — — US disclosed
Send feedback