SCHEMBL4322692

SCHEMBL4322692

Nc1nc(-c2ccc(OC(=O)c3ccc(C4CC4)cc3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MAPT P10636 7/20 0.47
NPC1 O15118 6/20 0.47
POLB P06746 1/20 0.47
LTA4H P09960 4/20 0.45
MAPK14 Q16539 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
SREBF2 Q12772 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 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
SCHEMBL4324204 0.85 ATP4A (0.55) RAB9AMAPTNPC1GFER
SCHEMBL4324209 0.83 RAB9A (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4326106 0.83 NPC1 (0.63) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4333577 0.80 MAPT (0.53) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4328007 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL366845 0.77 RAB9A (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4330172 0.76 MAPT (0.55) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL475998 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL9373472 0.74 RAB9A (0.64) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL1553078 0.74 ALDH1A1 (0.67) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT

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
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed