SCHEMBL19190854

SCHEMBL19190854

CC(C)(C)c1nc2ccc(-c3ccc4nc(-c5ccc(Oc6ccccc6)cc5)[nH]c4c3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.64
PTGES O14684 1/20 0.56
ALOX5 P09917 1/20 0.56
LTC4S Q16873 1/20 0.56
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPSE Q9Y251 1/20 0.55
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL18629758 0.90 TRPV1 (0.63) CHEK2HPSETRPV1
SCHEMBL4182601 0.85 CHEK2 (0.67) CHEK2PTGESALOX5LTC4SKDM4E
SCHEMBL9058427 0.82 HDAC6 (0.62) KDM4EALDH1A1HPGDNFKB1SMN1; SMN2
SCHEMBL19521599 0.81 SMN1; SMN2 (0.52) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL4182129 0.81 NPC1 (0.84) CHEK2KDM4ENPC1ALDH1A1TP53
SCHEMBL20747785 0.79 CHEK2 (0.65) CHEK2PTGESALOX5LTC4SKDM4E
SCHEMBL4188962 0.78 MEN1 (0.76) CHEK2PTGESALOX5LTC4SKDM4E
SCHEMBL4188790 0.78 CHEK2 (0.71) CHEK2PTGESALOX5LTC4SKDM4E
SCHEMBL26358087 0.78 HDAC6 (0.60) KDM4ENPC1ALDH1A1HPGDNFKB1
SCHEMBL4184180 0.78 DGAT1 (0.78) CHEK2

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-2935125-B1 ELECTROCHEMICAL WATER TREATMENT SYSTEM AND METHOD GEN ELECTRIC (US) 2017-08-02 EP disclosed