SCHEMBL30501940

SCHEMBL30501940

Nc1c(OCc2ccccc2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
KDM1A O60341 2/20 0.44
PIN1 Q13526 2/20 0.44
MGMT P16455 1/20 0.44
CYP19A1 P11511 5/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CTSB P07858 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 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
SCHEMBL1944404 1.00 POLB (0.46) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5591435 0.86 MGMT (0.46) MEN1KMT2AMAPTMGMTCYP19A1
SCHEMBL28521933 0.85 PIN1 (0.49) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5241194 0.85 MAPT (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL5902009 0.83 CTSV (0.47) POLBMEN1KMT2AMAPTCTSV
SCHEMBL1583614 0.83 POLB (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL31473699 0.83 POLB (0.57) POLBMEN1KMT2AMAPTCTSV
SCHEMBL29751809 0.83 POLB (0.48) POLBMEN1KMT2AMAPTCTSV
SCHEMBL1312167 0.83 POLB (0.57) POLBMEN1KMT2AMAPTCTSV
SCHEMBL16427372 0.83 MEN1 (0.55) POLBMEN1KMT2AMAPTCTSV

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN claimed
CN-122029159-A Preparation scheme of benzimidazole compound 拉夸里亚创药株式会社 2026-05-12 CN disclosed
WO-2025095097-A1 Process for producing benzimidazole compound RAQUALIA PHARMA INC. (JP) 2025-05-08 WO disclosed
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed