SCHEMBL15720649

SCHEMBL15720649

COCCOCCOCCSc1cc(N)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL15720329 0.79 MAPT (0.36) ALDH1A1NPC1RAB9AMEN1HPGD
SCHEMBL15516657 0.77 TSHR (0.40) ALDH1A1MAPTCYP3A4CYP19A1MAPK1
SCHEMBL16106194 0.77 TSHR (0.40) ALDH1A1MAPTCYP3A4CYP19A1MAPK1
SCHEMBL16931587 0.77 TSHR (0.40) ALDH1A1MAPTCYP3A4CYP19A1MAPK1
SCHEMBL15721091 0.77 TSHR (0.40) ALDH1A1MAPTCYP3A4CYP19A1MAPK1
SCHEMBL15517115 0.77 TSHR (0.40) ALDH1A1MAPTCYP3A4CYP19A1MAPK1
SCHEMBL15720955 0.76 CYP3A4 (0.41) ALDH1A1NPC1RAB9AMEN1HPGD
SCHEMBL15720832 0.76 MAPT (0.45) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL10820381 0.75 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMEN1HPGD
SCHEMBL15071344 0.71 KDM4E (0.41) ALDH1A1MAPTMAPK1

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-2925742-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2016-10-26 EP disclosed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed