SCHEMBL31035604

SCHEMBL31035604

Cc1cc(Br)c2occ(C)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
CSNK2A2 P19784 4/20 0.36
CSNK2B P67870 4/20 0.36
CSNK2A1 P68400 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAOB P27338 4/20 0.35
MAPT P10636 1/20 0.35
ALDH2 P05091 2/20 0.33
KCNA3 P22001 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH3A1 P30838 1/20 0.32
MAOA P21397 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11539348 0.86 PTPN1 (0.61) PTPN1CSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL24912992 0.83 PTPN1 (0.43) PTPN1CSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL23887130 0.80 PTPN1 (0.72) PTPN1ALDH1A1MAOBMAOAPOLB
SCHEMBL31035209 0.77 CA1 (0.32)
SCHEMBL31035348 0.73 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL30940293 0.71 ALDH1A1 (0.40) CSNK2A2CSNK2BCSNK2A1ESR1ESR2
SCHEMBL30940310 0.71 PTPN1 (0.45) PTPN1ALDH1A1MAOBMAPTKDM4E
SCHEMBL20906139 0.70 HTT (0.32) PTPN1ESR1ESR2MAPTKMT2A
SCHEMBL3267026 0.69 ESR2 (0.47) CSNK2A2CSNK2BCSNK2A1ESR1ESR2
SCHEMBL11556534 0.68 MAOB (0.51) ALDH1A1MAOBMAPTKCNA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed