SCHEMBL7766248

SCHEMBL7766248

COc1ccc(-c2ccccc2Cl)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
JAK1 P23458 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 5/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
IMPDH2 P12268 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7766259 0.91 SMN1; SMN2 (0.51) SMN1; SMN2JAK1HSD17B10KMT2AALDH1A1
SCHEMBL7044467 0.89 SMN1; SMN2 (0.49) SMN1; SMN2JAK1HSD17B10TSHRKMT2A
SCHEMBL7146644 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT
SCHEMBL7767039 0.85 SMN1; SMN2 (0.46) SMN1; SMN2JAK1KMT2AALDH1A1MAPT
SCHEMBL7044324 0.84 KMT2A (0.46) SMN1; SMN2HSD17B10TSHRKMT2AALDH1A1
SCHEMBL7762456 0.84 SMN1; SMN2 (0.45) SMN1; SMN2JAK1KMT2AMAPTPDE4D
SCHEMBL7765412 0.83 SMN1; SMN2 (0.47) SMN1; SMN2JAK1KMT2AALDH1A1MAPT
SCHEMBL7766251 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10TSHRMAPTHPGD
SCHEMBL7762520 0.81 JAK2 (0.48) SMN1; SMN2KMT2AMAPTHPGDMEN1
SCHEMBL7762515 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT

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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed