SCHEMBL29883158

SCHEMBL29883158

O=C(CCl)Nc1ccc(Cl)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 3/20 0.68
RAB9A P51151 7/20 0.65
NPC1 O15118 4/20 0.65
TSHR P16473 3/20 0.65
PTK2 Q05397 1/20 0.64
MAPK1 P28482 2/20 0.63
GLA P06280 1/20 0.63
LMNA P02545 3/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL2188598 1.00 TDP1 (0.71) TDP1L3MBTL1RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL1503943 0.98 TDP1 (0.69) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL2944497 0.86 TDP1 (0.71) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL27886037 0.84 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL19090370 0.84 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL18286136 0.84 TDP1 (0.73) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL222437 0.84 TDP1 (0.69) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL11034892 0.84 TDP1 (0.69) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL23933096 0.83 TDP1 (1.00) TDP1L3MBTL1RAB9ANPC1TSHR
SCHEMBL2952697 0.81 TSHR (0.69) TDP1L3MBTL1RAB9ANPC1TSHR

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-4045142-A1 OXAZOLE AND THIOAZOLE-TYPE CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2022-08-24 EP disclosed