SCHEMBL28653873

SCHEMBL28653873

Cc1cccc(N(N)C(=O)c2ccccc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B1 P14061 4/20 0.40
▸ HSD17B2 P37059 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL28680698 0.84 HPGD (0.46) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL28672305 0.84 HPGD (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL28658410 0.82 RAB9A (0.53) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL28490022 0.78 CYP3A4 (0.55) ALDH1A1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL11672970 0.75 HPGD (0.54) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL11576952 0.74 RAB9A (0.40) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL7201516 0.74 LMNA (0.48) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA
Hydrochloric Acid SCHEMBL11843807 0.74 HPGD (0.53) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL31006500 0.72 NPC1 (0.48) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL25247000 0.72 HPGD (0.57) ALDH1A1RAB9ASMN1; SMN2HPGDLMNA

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
Send feedback