SCHEMBL8631487

SCHEMBL8631487

Nc1ccc(C(=O)Oc2cccc(O)c2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
PDE4A P27815 1/20 0.57
ADRA1A P35348 1/20 0.57
KDR P35968 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
NR1H4 Q96RI1 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL8629316 0.83 MAPT (0.58) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL11194492 0.79 ESR1 (0.59) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL10782945 0.79 CYP3A4 (0.61) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL27779881 0.78 MAPT (0.79) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL10785616 0.78 CA12 (0.56) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL11198336 0.77 CYP3A4 (0.59) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL17744895 0.76 SMN1; SMN2 (0.54) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL8631476 0.76 ESR1 (0.60) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL10785235 0.76 ALOX15 (0.54) CYP3A4MAPTSMN1; SMN2LMNATP53
SCHEMBL19990150 0.76 CYP3A4 (0.48) CYP3A4MAPTSMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237040-A1 RESIN COMPOSITION, LAMINATE AND PROCESS FOR PRODUCTION THEREOF, STRUCTURE AND PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF ELECTRONIC DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2013-09-12 US disclosed
US-5747625-A Silicate group-containing polyimide NIPPON STEEL CHEMICAL CO., LTD. (JP) 1998-05-05 US disclosed