SCHEMBL6630243

SCHEMBL6630243

O=C1C[C]Sc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 3/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 5/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 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
SCHEMBL943141 0.71 GAA (0.46) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL13323 0.71 ALDH1A1 (0.60) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL30648399 0.69 ALDH1A1 (0.58) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL155144 0.68 GAA (0.48) BRD4CREBBPALDH1A1SMN1; SMN2GAA
SCHEMBL1756087 0.68 HDAC1 (0.51) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL8853727 0.68 GAA (0.54) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL1973489 0.67 AHR (0.45) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL2828423 0.67 GAA (0.52) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL9628939 0.67 NPC1 (0.53) BRD4CREBBPALDH1A1TSHRSMN1; SMN2
SCHEMBL1913191 0.67 BRD4 (0.47) BRD4CREBBPALDH1A1TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO disclosed