SCHEMBL10723716

SCHEMBL10723716

Cc1ccc(Nc2ccc(N)cc2N)c(S(=O)(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
MAPT P10636 6/20 0.68
ALDH1A1 P00352 6/20 0.68
GAA P10253 5/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
POLB P06746 3/20 0.68
RECQL P46063 3/20 0.68
CASP6 P55212 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ELAVL1 Q15717 1/20 0.68
RAPGEF4 Q8WZA2 1/20 0.57
NSD2 O96028 1/20 0.55
APEX1 P27695 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
HSD17B10 Q99714 4/20 0.51
NT5E P21589 1/20 0.48
NPC1 O15118 3/20 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
SCHEMBL17491050 0.86 GAA (0.61) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL10724419 0.84 P2RY12 (0.49) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL9612283 0.84 GAA (0.83) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL9627720 0.82 RAPGEF4 (0.80) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL10722454 0.82 KDM4E (0.61) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL7814270 0.81 GAA (1.00) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL8169859 0.77 RAPGEF4 (0.67) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL14166656 0.76 GAA (0.77) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL10872812 0.75 MAPT (0.51) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL9189649 0.74 RAPGEF4 (0.97) KDM4EMAPTALDH1A1GAAL3MBTL1

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-4698066-A COMPRISING A COUPLER AND DEVELOPER; DERMATOLOGICALLY NONTOXIC HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-10-06 US disclosed