SCHEMBL8410122

SCHEMBL8410122

CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl.O=C(Cc1cccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 3/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
AGTR1 P30556 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL30697719 0.93 RAB9A (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL3066779 0.93 RAB9A (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL22696 0.93 RAB9A (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL29586383 0.93 RAB9A (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL22695 0.93 RAB9A (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
Methyl Alcohol SCHEMBL28193600 0.92 DRD4 (0.47) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL28784244 0.92 RAB9A (0.46) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL2790346 0.87 IDO1 (0.58) IDO1RAB9ANPC1ALDH1A1NFKB1
Pentachlorophenol SCHEMBL2229122 0.87 ALDH1A1 (0.43) IDO1RAB9ANPC1ALDH1A1NFKB1
SCHEMBL10906795 0.86 RAB9A (0.46) IDO1RAB9ANPC1ALDH1A1NFKB1

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-5863909-A CONSISTS OF SORBITAN/FATTY ACID ESTER SURFACTANT AND OTHER SURFACTANT SELECTED FROM RESIN ACID AND ANIONIC OLIGOMER OR POLYMER TYPE QUATERNARY AMMONIUM SALTS KAO CORPORATION (JP) 1999-01-26 US disclosed