SCHEMBL8924324

SCHEMBL8924324

N=C(N)Nc1cccc(C(=O)CBr)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GSK3B P49841 2/20 0.46
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 1/20 0.43
PARP1 P09874 7/20 0.43
PARP10 Q53GL7 6/20 0.43
PARP15 Q460N3 3/20 0.43
PARP14 Q460N5 3/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL9323576 0.84 L3MBTL1 (0.54) KMT2AMEN1ALDH1A1PARP1PARP10
SCHEMBL28050059 0.82 GSK3B (0.55) KMT2AMEN1GSK3BPTPN1ALDH1A1
SCHEMBL895690 0.82 MEN1 (0.63) KMT2AMEN1ALDH1A1PARP1PARP10
SCHEMBL5628492 0.81 HDAC3 (0.57) KMT2AMEN1ALDH1A1
SCHEMBL1185244 0.80 KMT2A (0.58) KMT2AMEN1PARP1PARP10PARP15
SCHEMBL6930688 0.80 KMT2A (0.62) KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2546537 0.80 MEN1 (0.61) KMT2AMEN1ALDH1A1PARP1PARP10
SCHEMBL6189469 0.79 KCNK3 (0.69) KMT2AMEN1GSK3BPTPN1PARP1
Hydrochloric Acid SCHEMBL3839558 0.79 KMT2A (0.57) KMT2AMEN1PARP1PARP10PARP15
Hydrochloric Acid SCHEMBL29568124 0.79 KMT2A (0.57) KMT2AMEN1PARP1PARP10PARP15

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed