SCHEMBL7989922

SCHEMBL7989922

Cc1ccc(-c2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIN1 Q13526 2/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44

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
SCHEMBL7977684 0.87 SIRT2 (0.60) SIRT2SIRT1ALDH1A1MEN1KMT2A
SCHEMBL7988996 0.81 RAB9A (0.44) SIRT2SIRT1ALDH1A1MEN1KMT2A
SCHEMBL7991747 0.81 PARP1 (0.53) SIRT2SIRT1ALDH1A1MEN1KMT2A
SCHEMBL7991773 0.81 PARP1 (0.51) SIRT2SIRT1ALDH1A1MEN1KMT2A
SCHEMBL7988114 0.77 PIN1 (0.48) MAPK1PARP1PIN1CHEK2HDAC4
SCHEMBL7989265 0.76 SIRT2 (0.47) SIRT2SIRT1ALDH1A1MEN1KMT2A
SCHEMBL7977456 0.73 DHODH (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7989851 0.72 PARP1 (0.45) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7991959 0.72 SMN1; SMN2 (0.44) SIRT2SIRT1ALDH1A1KMT2AMAPT
SCHEMBL7977819 0.71 CHEK2 (0.51) SIRT2SIRT1ALDH1A1MEN1KMT2A

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed