SCHEMBL24528952

SCHEMBL24528952

CCCC1NCCc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
BCHE P06276 1/20 0.47
SHBG P04278 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44

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
Bromide SCHEMBL27191476 0.98 KDM1A (0.48) KDM1ADRD2DRD4BCHESHBG
Bromide SCHEMBL30645337 0.98 KDM1A (0.48) KDM1ADRD2DRD4BCHESHBG
SCHEMBL8514438 0.84 BCHE (0.44) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL8513919 0.81 BCHE (0.44) KDM1ADRD2DRD4BCHEKDM4E
Bromide SCHEMBL9531808 0.79 KDM1A (0.47) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL10837762 0.79 HTR2C (0.52) KDM1ACA1CA2CA7CA9
SCHEMBL10349438 0.78 DRD2 (0.62) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL1009943 0.78 PRCP (0.64) KDM4E
Bromide SCHEMBL11619182 0.77 KDM1A (0.42) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL8469298 0.77 KMT2A (0.48) KDM1ADRD2DRD4BCHEKDM4E

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
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed