SCHEMBL13823006

SCHEMBL13823006

CCc1ccc(-n2nccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ NPBWR1 P48145 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HCAR1 Q9BXC0 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
SCHEMBL27475240 0.83 POLB (0.60) POLBALDH1A1KDM4EPKM
SCHEMBL1491115 0.79 POLB (0.64) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1247688 0.75 POLB (0.64) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4951229 0.75 POLB (0.64) POLBSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL1491089 0.75 POLB (0.64) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1491081 0.74 POLB (0.58) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1491132 0.74 POLB (0.58) POLBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL433371 0.74 POLB (1.00) POLBSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL1491136 0.74 POLB (0.69) POLBSMN1; SMN2NFKB1MEN1KMT2A
Hydrochloric Acid SCHEMBL11470266 0.73 POLB (0.62) POLBSMN1; SMN2NPC1RAB9AMEN1

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
EP-2203435-B1 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARM INC (US) 2018-07-18 — — EP disclosed
WO-2009075923-A2 6, 11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 — — WO disclosed
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