SCHEMBL6532790

SCHEMBL6532790

O=C(O)c1nc2ccccc2c(Oc2ccc(Cl)cc2Cl)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.45
CHRM1 P11229 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TTR P02766 2/20 0.43
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 2/20 0.41
HPRT1 P00492 1/20 0.41
IGF1R P08069 2/20 0.40
FABP3 P05413 1/20 0.40

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
SCHEMBL6532788 0.76 MAPT (0.48) CYP1A2CYP1A1CYP1B1MRGPRX4CHRM1
SCHEMBL10583775 0.73 DHODH (0.69) CYP1A2CYP1A1CYP1B1CYP3A4CYP2C9
SCHEMBL8571266 0.71 ALDH1A1 (0.57) CYP1A2MAPTALDH1A1HPGDDYRK1A
SCHEMBL9656532 0.70 TTR (0.56) MRGPRX4CHRM1TTRMAPTPLA2G1B
SCHEMBL10467734 0.69 ALDH1A1 (0.63) CYP1A2MAPTALDH1A1HPGDDYRK1A
SCHEMBL14916797 0.69 FABP4 (0.73) MAPTALDH1A1GAAL3MBTL1FABP3
SCHEMBL7591271 0.68 DHODH (0.60) CYP1A2ALDH1A1POLBGAAHPGD
SCHEMBL7699106 0.68 DHODH (0.58) CYP1A2ALDH1A1POLBGAAHPGD
SCHEMBL8567925 0.67 KMO (0.52) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL641133 0.67 HPGD (0.62) CYP1A2MRGPRX4CHRM1TTRMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050166290-A1 Expression cassettes and methods for delivery of animal vaccines ALL BENJAMIN P (US) 2005-07-28 US disclosed
US-20020058312-A1 Expression cassetts and methods for delivery of animal vaccines APPLIED BIOTECHNOLOGY INSTITUTE LLC 2002-05-16 US disclosed
WO-1997010347-A1 EXPRESSION CASSETTES AND METHODS FOR DELIVERY OF ANIMAL VACCINES HOWARD JOHN A (US) 1997-03-20 WO disclosed