SCHEMBL5158041

SCHEMBL5158041

Nc1cccc(OC2(Oc3cccc(N)c3)C=CC(S(=O)(=O)C3=CCC(Oc4cccc(N)c4)(Oc4cccc(N)c4)C=C3)=CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 2/20 0.35
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL14321773 0.83 CYP3A4 (0.32) ALDH1A1CYP3A4LMNATSHRTDP1
SCHEMBL29720375 0.76 MAOB (0.41) ALDH1A1CYP3A4LMNAMAOBTP53
SCHEMBL1270085 0.76 MAOB (0.41) ALDH1A1CYP3A4LMNAMAOBTP53
SCHEMBL9750704 0.74 PBRM1 (0.44) ALDH1A1CYP3A4LMNAMAOBATM
SCHEMBL29865804 0.74 PBRM1 (0.44) ALDH1A1CYP3A4LMNAMAOBATM
SCHEMBL29390518 0.74 PBRM1 (0.44) ALDH1A1CYP3A4LMNAMAOBATM
SCHEMBL1119438 0.72 MAOB (0.38) ALDH1A1CYP3A4LMNAMAOBTP53
SCHEMBL7629801 0.71 CYP3A4 (0.42) ALDH1A1CYP3A4MAOBTP53ATM
SCHEMBL18903906 0.65 CYP3A4 (0.42) ALDH1A1CYP3A4MAOBTP53ATM
SCHEMBL7629797 0.63 ALDH1A1 (0.47) ALDH1A1CYP3A4MAOBTP53ATM

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-20120328856-A1 PHOTOSENSITIVE RESIN COMPOSITION AND CIRCUIT FORMATION SUBSTRATE USING THE SAME HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2012-12-27 US disclosed
EP-1262509-B1 IMIDE-BENZOXAZOLE POLYCONDENSATE AND PROCESS FOR PRODUCING THE SAME PI R & D CO LTD (JP) 2007-01-10 EP disclosed
US-4791157-A REACTING TRIMELLITIC ACID WITH AROMATIC DIAMINE WITH ETHER GROUPS HITACHI CHEMICAL CO. (JP) 1988-12-13 US disclosed