SCHEMBL6015580

SCHEMBL6015580

COc1cc(C)ccc1-c1ccc(SCc2ccccn2)nn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
RAB9A P51151 10/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
NPC1 O15118 8/20 0.60
L3MBTL1 Q9Y468 4/20 0.58
HTT P42858 2/20 0.58
RECQL P46063 1/20 0.58
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SLC1A2 P43004 1/20 0.45
SYK P43405 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6015608 0.87 MAPT (0.56) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5510570 0.86 MAPT (0.62) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL6015594 0.80 MAPT (1.00) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL6015589 0.77 CYP1A2 (0.52) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1378355 0.74 NPC1 (0.78) KMT2ARAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL4270262 0.73 NPC1 (0.77) KMT2ARAB9ANPC1LMNA
SCHEMBL11158098 0.70 RAB9A (0.55) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL27945846 0.70 CYP1A2 (0.59) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL6015579 0.69 NPC1 (1.00) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL26316100 0.69 ACHE (0.47) MAPTALDH1A1RAB9ASMN1; SMN2L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed