SCHEMBL9304572

SCHEMBL9304572

Fc1ccc(Cn2nc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
HTR3A P46098 2/20 0.44
TBXA2R P21731 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
GRM2 Q14416 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL9304768 0.83 CYP19A1 (0.58) RAB9ACYP11B1CYP11B2LMNAKMT2A
SCHEMBL4834224 0.80 TNF (0.44) RAB9ACYP11B1CYP11B2MAPTKMT2A
SCHEMBL22001014 0.80 TP53 (0.57) RAB9ACYP11B1CYP11B2LMNAMAPT
SCHEMBL1264013 0.80 ESR1 (0.44) RAB9ALMNAMAPTKMT2AALDH1A1
SCHEMBL9304138 0.79 TSHR (0.54) RAB9ACYP11B1CYP11B2KMT2AALDH1A1
SCHEMBL15242943 0.78 KMT2A (0.47) RAB9ACYP11B1CYP11B2LMNAMAPT
SCHEMBL28261635 0.73 ALDH1A1 (0.72) RAB9ALMNAMAPTKMT2AHTR3A
SCHEMBL4833321 0.73 CFTR (0.53) LMNAMAPTKMT2ATBXA2RALDH1A1
SCHEMBL699692 0.73 RAB9A (0.46) RAB9ACYP11B1CYP11B2LMNAMAPT
SCHEMBL17610794 0.72 CYP19A1 (0.61) RAB9ACYP11B1CYP11B2LMNAMAPT

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-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed