SCHEMBL28680698

SCHEMBL28680698

Cc1ccc(N(N)C(=O)c2ccccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL28672305 0.86 HPGD (0.51) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL28653873 0.84 ALDH1A1 (0.43) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28653900 0.78 MEN1 (0.52) HPGDL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL1828325 0.77 CES2 (0.52) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25247000 0.77 HPGD (0.57) HPGDALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11835494 0.76 CES2 (0.50) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL28658410 0.75 RAB9A (0.53) HPGDALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL11254594 0.74 CES2 (0.52) HPGDALDH1A1LMNAMAPTSMN1; SMN2
Toluene SCHEMBL8166865 0.73 HPGD (0.43) HPGDCASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL11842637 0.73 ALDH1A1 (0.46) HPGDALDH1A1LMNAMAPTSMN1; SMN2

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
CN-113698407-A Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2021-11-26 — — CN claimed
CN-113698407-B Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2022-11-29 — — CN disclosed
CN-113698407-A Method for preparing indazole [3,2-b ] quinazolin-7 (5H) -one derivative based on Ullmann coupling reaction 武汉科技大学 2021-11-26 — — CN disclosed
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