SCHEMBL29648404

SCHEMBL29648404

O=S(=O)(NCCO)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
NAMPT P43490 2/20 0.43
MMP1 P03956 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MMP7 P09237 1/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL24496309 1.00 CYP19A1 (0.45) CYP19A1NAMPTMMP1GAAALDH1A1
SCHEMBL29648341 0.86 CYP19A1 (0.47) CYP19A1NAMPTMMP1SCN3AKDM4E
SCHEMBL29648307 0.86 CYP19A1 (0.47) CYP19A1NAMPTMMP1ALDH1A1PKM
SCHEMBL24496068 0.86 CYP19A1 (0.47) CYP19A1NAMPTMMP1ALDH1A1PKM
SCHEMBL24496161 0.86 CYP19A1 (0.47) CYP19A1NAMPTMMP1SCN3AKDM4E
SCHEMBL25801783 0.85 TEAD1 (0.46) CYP19A1MMP1ALDH1A1KDM4ECA12
SCHEMBL24496051 0.85 MMP1 (0.49) CYP19A1NAMPTMMP1ALDH1A1KDM4E
SCHEMBL24496152 0.83 CNR2 (0.47) CYP19A1NAMPTSCN3ACA1CA2
SCHEMBL29648340 0.82 PTGS2 (0.43) CYP19A1MMP1SCN3AKDM4ECA12
SCHEMBL24496010 0.82 ALDH1A1 (0.51) CYP19A1GAAALDH1A1PKMKDM4E

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
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed
WO-2022120353-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed