SCHEMBL7503232

SCHEMBL7503232

CCC1CCC(CCC(=O)Oc2ccc(-c3ncccn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AOC3 Q16853 2/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL10000272 0.88 KMT2A (0.42) KMT2ARAB9AHPGDSMN1; SMN2MAPT
SCHEMBL8853902 0.82 RARB (0.43) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8853910 0.82 RARB (0.43) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL10000256 0.82 RARB (0.43) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9189096 0.77 POLB (0.45) KMT2AHPGDMAPTALDH1A1LMNA
SCHEMBL9189100 0.77 POLB (0.45) KMT2AHPGDMAPTALDH1A1LMNA
SCHEMBL9186042 0.77 LSS (0.43) KMT2AHPGDMAPTCYP19A1ALDH1A1
SCHEMBL9186038 0.77 LSS (0.43) KMT2AHPGDMAPTCYP19A1ALDH1A1
SCHEMBL8853553 0.77 RARB (0.44) KMT2ARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8853559 0.77 RARB (0.44) KMT2ARAB9ASMN1; SMN2MAPTNPC1

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
EP-0541081-B1 Compounds with only a side chain for use in liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2002-04-10 EP disclosed