SCHEMBL29903129

SCHEMBL29903129

Nc1cc(C(=O)O)c2c(I)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
CASP7 P55210 3/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
MCL1 Q07820 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL29903128 1.00 IDO1 (0.43) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL23409308 1.00 IDO1 (0.43) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL7019157 0.84 HSD17B10 (0.53) IDO1MEN1KMT2ATDP1ALDH1A1
SCHEMBL30118104 0.81 CDC25B (0.47) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23409342 0.81 CDC25B (0.47) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1619337 0.78 HSD17B10 (0.64) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL29937467 0.78 HSD17B10 (0.64) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6914207 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6913636 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6914711 0.77 HSD17B10 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E

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
EP-4065583-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed