SCHEMBL9013500

SCHEMBL9013500

Cc1cc(Cl)nc(-c2ccc(F)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
ADORA2A P29274 5/20 0.49
ADORA2B P29275 3/20 0.49
ADORA1 P30542 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
PTGS2 P35354 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3450860 0.86 LMNA (0.47) LMNAADORA2AADORA2BADORA1ADORA3
SCHEMBL3425538 0.85 LMNA (0.72) LMNAADORA2AADORA3NPC1RAB9A
SCHEMBL1772953 0.81 LMNA (1.00) LMNAADORA2AADORA1NPC1RAB9A
SCHEMBL8031410 0.81 LMNA (0.62) LMNAADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL11513769 0.79 LMNA (0.70) LMNANPC1RAB9AKMT2AMAPT
SCHEMBL28330431 0.79 LMNA (0.64) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL632828 0.79 LMNA (0.64) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28859110 0.78 ADORA2A (0.47) LMNAADORA2AADORA2BADORA1ADORA3
SCHEMBL9013731 0.78 NPC1 (0.47) LMNAADORA2AADORA2BADORA1ADORA3
SCHEMBL5749149 0.76 LMNA (0.61) LMNANPC1RAB9ASMN1; SMN2KMT2A

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