SCHEMBL22754758

SCHEMBL22754758

Clc1nc(-c2ccccc2)nc(C2CCCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ADORA1 P30542 6/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 3/20 0.45
PDE5A O76074 4/20 0.41
ACP1 P24666 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL19295107 1.00 TDP1 (0.51) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL22063718 0.88 L3MBTL1 (0.58) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL27284575 0.83 TDP1 (0.50) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL25823034 0.82 CASP3 (0.54) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL20805721 0.81 L3MBTL1 (0.56) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL14622035 0.80 TDP1 (0.48) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL23584433 0.79 MEN1 (0.36) TDP1L3MBTL1POLBADORA1ADORA3
SCHEMBL20437702 0.79 L3MBTL1 (0.50) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL20026641 0.78 L3MBTL1 (0.51) TDP1L3MBTL1POLBCASP3SENP7
SCHEMBL22073888 0.78 AHR (0.38) TDP1L3MBTL1POLBCASP3SENP7

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-3747873-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LG CHEM, LTD. (KR) 2020-12-09 EP disclosed