SCHEMBL28901636

SCHEMBL28901636

COc1cc(Br)c(Cl)cc1CCC(C)(C)N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTR2A P28223 2/20 0.36
▸ TMEM97 Q5BJF2 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL17807922 0.72 HTR2A (0.44) POLBHTR2AHTR2CTAAR1
SCHEMBL23783201 0.70 VEGFA (0.47) LMNAPOLBKDM4EALDH1A1MEN1
SCHEMBL30031969 0.70 VEGFA (0.47) LMNAPOLBKDM4EALDH1A1MEN1
SCHEMBL21197947 0.69 HSD17B10 (0.51) POLBGAAHTR2AALDH1A1HTR2C
SCHEMBL31306573 0.69 HSD17B10 (0.51) POLBGAAHTR2AALDH1A1HTR2C
SCHEMBL28596476 0.68 CYP1A2 (0.30) —
SCHEMBL16117964 0.67 TAAR1 (0.44) POLBHTR2AHTR2CTAAR1CYP3A4
SCHEMBL16100600 0.66 CYP3A4 (0.36) LMNAPOLBGAAALDH1A1MEN1
SCHEMBL21822900 0.65 PDE4A (0.46) POLBHTR2AHTR2CTAAR1MAPT
SCHEMBL28604821 0.65 ALDH1A1 (0.38) POLBKCNH2KDM4EALDH1A1MEN1

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-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 — — CN disclosed
Send feedback