SCHEMBL29004397

SCHEMBL29004397

COC(OC)C(C)NCc1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCNB2 O95067 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNB3 Q8WWL7 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19792288 0.84 HTR2A (0.37) KMT2AMEN1LMNAATML3MBTL1
SCHEMBL22787583 0.78 HTR2A (0.36) KMT2AMEN1LMNAATML3MBTL1
SCHEMBL14650407 0.78 BCHE (0.47) TAAR1KMT2AANPEPIDO1RIPK1
SCHEMBL13298759 0.75 SIGMAR1 (0.53) KMT2AMEN1LMNAATML3MBTL1
SCHEMBL31048634 0.71 MEN1 (0.46) TAAR1KMT2AMEN1ANPEPIDO1
SCHEMBL30133794 0.71 MEN1 (0.54) TAAR1KMT2AMEN1IDO1LMNA
SCHEMBL28515596 0.70 HTR3E (0.36) KMT2AMEN1ANPEPLMNAATM
SCHEMBL4857761 0.70 TSHR (0.47) KMT2AMEN1ANPEPRIPK1TSHR
SCHEMBL2996605 0.69 RIPK1 (0.43) TAAR1KMT2AMEN1ANPEPIDO1
SCHEMBL17868781 0.69 KMT2A (0.46) KMT2AMEN1ATML3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028828-B Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound 烟台宁远药业有限公司 2023-04-14 — — CN claimed
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