SCHEMBL9013368

SCHEMBL9013368

Cc1cc(O)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
KIF11 P52732 2/20 0.44
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
S1PR1 P21453 3/20 0.40
PTGS2 P35354 1/20 0.40
S1PR3 Q99500 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2616101 0.88 LMNA (0.50) ADORA3LMNATHRBKIF11MAPT
SCHEMBL7007719 0.88 KIF11 (0.52) ADORA3LMNATHRBKIF11CHUK
SCHEMBL9013731 0.81 NPC1 (0.47) ADORA3LMNAMAPTMAPK1NPC1
SCHEMBL11515085 0.80 ABCG2 (0.48) LMNAMAPTMAPK1NPC1RAB9A
SCHEMBL10968094 0.80 NPC1 (0.46) ADORA3LMNAMAPTPOLBMAPK1
SCHEMBL8031410 0.80 LMNA (0.62) ADORA3LMNATHRBKIF11MAPT
SCHEMBL13273290 0.78 MAPT (0.45) ADORA3LMNATHRBKIF11MAPT
SCHEMBL2609388 0.78 LMNA (0.42) ADORA3LMNATHRBKIF11MAPT
SCHEMBL2577307 0.77 LMNA (0.61) LMNAMAPTMAPK1NPC1RAB9A
SCHEMBL609557 0.76 HSP90AA1 (0.39) S1PR1S1PR3HSP90AA1GAA

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-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed