SCHEMBL31111007

SCHEMBL31111007

COCOc1c(Br)cccc1CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CFD P00746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SLC7A5 Q01650 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30413093 0.87 PTPN1 (0.41) PTPN1KMT2AALDH1A1GAAMAPT
SCHEMBL29272766 0.87 PTPN1 (0.41) PTPN1KMT2AALDH1A1GAAMAPT
SCHEMBL286702 0.84 KMT2A (0.48) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL31664051 0.82 LMNA (0.47) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL31454303 0.81 GABRA1 (0.45) PTPN1KMT2AMEN1TSHRBACE1
SCHEMBL965852 0.77 KMT2A (0.51) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL31042998 0.77 KMT2A (0.51) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL23703592 0.77 KDM4E (0.43) KDM4EKMT2AMEN1TSHRALDH1A1
SCHEMBL5846257 0.77 PTPN1 (0.42) PTPN1KMT2AMEN1BACE1ALDH1A1
SCHEMBL2060569 0.76 KDM4E (0.44) KDM4EKMT2AMEN1TSHRALDH1A1

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-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed