SCHEMBL9305044

SCHEMBL9305044

CC(C)Oc1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CBFB Q13951 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KLF5 Q13887 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FGFR1 P11362 2/20 0.38
MAPK1 P28482 1/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36

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
SCHEMBL9305034 0.87 CBFB (0.56) PDE3BPDE3ACBFBNPC1RAB9A
SCHEMBL3149598 0.83 MEN1 (0.42) PDE3BPDE3ANPC1RAB9AKLF5
SCHEMBL1193199 0.81 ALDH1A1 (0.48) PDE3BPDE3ANPC1RAB9AALDH1A1
SCHEMBL9305942 0.81 PDE3B (0.46) PDE3BPDE3ACBFBNPC1RAB9A
SCHEMBL9304866 0.77 MAPT (0.49) PDE3BPDE3ACBFBNPC1RAB9A
SCHEMBL9940567 0.75 MLKL (0.43) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL30167015 0.74 KMT2A (0.47) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL1193332 0.74 RUNX1 (0.43) CBFBNPC1RAB9AMAPK1KMT2A
SCHEMBL30312561 0.74 PDE3B (0.40) PDE3BPDE3ACBFBNPC1RAB9A
SCHEMBL15646693 0.73 MEN1 (0.57) PDE3BPDE3ACBFBNPC1RAB9A

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-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed