SCHEMBL13822161

SCHEMBL13822161

CCc1ccc(-c2nsc(N)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.50
CYP19A1 P11511 2/20 0.49
TP53 P04637 2/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.39
METAP2 P50579 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL11332250 0.79 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL20390156 0.77 SMN1; SMN2 (0.43) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL13822157 0.77 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL20390138 0.76 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL9108544 0.76 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL16238754 0.76 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL20390644 0.76 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL9852272 0.76 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL13659745 0.75 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL9852337 0.75 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2

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