SCHEMBL11197697

SCHEMBL11197697

CCc1noc(C)c1-c1c(C(=O)C(=O)N2CCCC2)c2cc(F)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP14 P54578 1/20 0.34

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
SCHEMBL11198827 0.89 PTGDR2 (0.43) KMT2APOLBKDM4EPTGDR2LMNA
SCHEMBL11194130 0.87 KMT2A (0.47) KMT2APOLBLMNA
SCHEMBL11194360 0.86 KMT2A (0.47) KMT2APOLBKDM4ELMNA
SCHEMBL11195809 0.85 PTGDR2 (0.37) KMT2APOLBKDM4EPTGDR2LMNA
SCHEMBL11201252 0.85 PTGDR2 (0.39) KMT2APOLBKDM4EPTGDR2NPC1
SCHEMBL10977892 0.80 POLB (0.43) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL11202391 0.76 MAPT (0.36) KMT2APOLBKDM4EPTGDR2LMNA
SCHEMBL11194217 0.75 MAPT (0.37) KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL11197970 0.73 PTGDR2 (0.35) KMT2APOLBPTGDR2NPC1RAB9A
SCHEMBL11205806 0.73 PTGDR2 (0.46) KMT2APTGDR2LMNAALDH1A1

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-4397850-A HYPOGLYCEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1983-08-09 US disclosed