SCHEMBL789722

SCHEMBL789722

CCOC(=O)c1csc(Nc2ccccc2Cl)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
ALDH1A1 P00352 3/20 0.73
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
KDM1A O60341 1/20 0.69
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
HPGD P15428 3/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
TRPC3 Q13507 1/20 0.55
TRPC6 Q9Y210 1/20 0.55

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
SCHEMBL10464759 0.88 RAB9A (0.62) MAPTALDH1A1RAB9ANPC1KDM1A
SCHEMBL790034 0.85 SMN1; SMN2 (0.60) MAPTALDH1A1RAB9ANPC1KDM1A
SCHEMBL5216256 0.82 EGFR (0.54) MAPTALDH1A1RAB9ANPC1KDM1A
SCHEMBL4789312 0.82 SMN1; SMN2 (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5213498 0.81 CYP1A2 (0.57) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5218406 0.81 SMN1; SMN2 (0.60) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3600963 0.81 RAB9A (0.71) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL798528 0.80 NPC1 (0.77) MAPTALDH1A1RAB9ANPC1KDM1A
SCHEMBL4722539 0.80 L3MBTL1 (0.58) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5041112 0.80 EGFR (0.73) MAPTALDH1A1RAB9ANPC1KDM1A

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed