SCHEMBL9696052

SCHEMBL9696052

Cc1cc(C)c2c(=O)cc(C)[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TP53 P04637 1/20 0.42
LOX P28300 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL9696670 0.78 LMNA (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7925155 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAADORA2AADORA1
SCHEMBL9696697 0.74 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2LMNAADORA2A
SCHEMBL1520741 0.74 ALDH1A1 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7920474 0.74 ADORA2A (0.65) ALDH1A1SMN1; SMN2LMNAADORA2AADORA1
SCHEMBL7920177 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL7921784 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAADORA2AADORA1
SCHEMBL9694533 0.73 ALDH1A1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9695659 0.73 ADORA2A (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8107995 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAADORA2AADORA1

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
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 WO disclosed