SCHEMBL30426136

SCHEMBL30426136

Cc1cc(Oc2ccc(C#N)cc2)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
AR P10275 4/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
IL18 Q14116 1/20 0.42
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
PDE1A P54750 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
SCHEMBL2529476 1.00 HAO1 (0.45) HAO1PARP15PARP10PARP2AR
SCHEMBL4615068 0.85 EPAS1 (0.45) HAO1ARPDE4APDE4BPDE4C
SCHEMBL18615343 0.84 KMT2A (0.51) HAO1PARP15PARP10PARP2AR
SCHEMBL13890548 0.81 AR (0.53) PARP15PARP10PARP2ARLMNA
SCHEMBL8545963 0.81 PARP15 (0.45) PARP15PARP10PARP2ARLMNA
SCHEMBL5472622 0.80 AR (0.53) PARP15PARP10PARP2ARLMNA
SCHEMBL9185395 0.80 HAO1 (0.51) HAO1LMNAMAPTKMT2AMEN1
SCHEMBL15783258 0.80 HAO1 (0.51) HAO1ARLMNAMAPTKMT2A
SCHEMBL23004806 0.79 PARP15 (0.44) PARP15PARP10PARP2ARLMNA
SCHEMBL9889460 0.79 HTR2A (0.46) PARP15PARP10PARP2ARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239498-B Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-07-21 CN claimed
CN-116239498-A Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-06-09 CN claimed
CN-118754901-A Keli boron preparation method of herba Luo 山东宏祺药物研发有限公司 2024-10-11 CN disclosed
CN-116239498-B Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-07-21 CN disclosed
CN-116239498-B Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-07-21 CN disclosed
CN-116253756-B Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-07-18 CN disclosed
CN-112174989-B Preparation method of clenbuterol 江西同和药业股份有限公司 2023-06-20 CN disclosed
CN-116253756-A Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-06-13 CN disclosed
CN-116239498-A Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-06-09 CN disclosed
CN-116239498-A Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-06-09 CN disclosed