SCHEMBL22376192

SCHEMBL22376192

O=C(I)c1ccc2nc(Cl)c(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.47
APC P25054 1/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 7/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10643646 0.84 TDP1 (0.67) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL1162363 0.84 CDH1 (0.47) CDH1APCCTNNB1TCF7L2TDP1
Hydrochloric Acid SCHEMBL8591571 0.82 TDP1 (0.65) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL8502343 0.82 CDH1 (0.46) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL9088640 0.82 CHEK2 (0.47) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL9091793 0.82 TDP1 (0.50) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL8764992 0.78 RAB9A (0.58) CDH1APCCTNNB1TCF7L2TDP1
SCHEMBL26261541 0.78 NPC1 (0.73) RAB9AALDH1A1NPC1HPGDMEN1
SCHEMBL5349000 0.78 CSNK2A1 (0.56) TDP1RAB9AALDH1A1NPC1HPGD
SCHEMBL26264034 0.78 NPC1 (0.50) CDH1APCCTNNB1TCF7L2TDP1

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
US-20200270460-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE ARCHROMA IP GMBH (CH) 2020-08-27 US disclosed