SCHEMBL9722679

SCHEMBL9722679

O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc(Cl)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.74
NPC1 O15118 5/20 0.74
TSHR P16473 3/20 0.74
TP53 P04637 3/20 0.74
MAPT P10636 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPK1 P28482 2/20 0.74
PKM P14618 2/20 0.74
HPGD P15428 2/20 0.74
LMNA P02545 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MITF O75030 1/20 0.53

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
SCHEMBL9722686 0.82 RAB9A (0.73) RAB9ANPC1TSHRTP53MAPT
SCHEMBL9722689 0.82 ALDH1A1 (0.63) RAB9ANPC1TSHRTP53MAPT
SCHEMBL9722746 0.81 RAB9A (0.49) RAB9ANPC1TSHRTP53MAPT
SCHEMBL9722716 0.81 RAB9A (0.61) RAB9ANPC1TSHRTP53MAPT
SCHEMBL10733362 0.80 NOTUM (0.53) RAB9ANPC1TSHRTP53MAPT
SCHEMBL2947641 0.77 ALDH1A1 (0.74) RAB9ANPC1TSHRTP53MAPT
SCHEMBL30839242 0.77 ALDH1A1 (0.74) RAB9ANPC1TSHRTP53MAPT
Hydrochloric Acid SCHEMBL31072915 0.76 ALDH1A1 (0.72) RAB9ANPC1TSHRTP53MAPT
SCHEMBL5640127 0.76 LMNA (0.67) NPC1MAPTMAPK1HPGDLMNA
SCHEMBL2188598 0.76 TDP1 (0.71) RAB9ANPC1TSHRTP53MAPT

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
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed