SCHEMBL9722691

SCHEMBL9722691

O=C(COc1ccc(Br)cc1Cl)Nc1ccccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.80
RAB9A P51151 11/20 0.80
KMT2A Q03164 2/20 0.80
MEN1 O00255 1/20 0.80
TP53 P04637 7/20 0.78
HPGD P15428 5/20 0.78
PKM P14618 3/20 0.78
MITF O75030 1/20 0.78
XBP1 P17861 1/20 0.78
SMN1; SMN2 Q16637 7/20 0.60
TSHR P16473 3/20 0.58
LMNA P02545 5/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.56
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
ALOX15 P16050 1/20 0.54
CASP3 P42574 1/20 0.54

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
SCHEMBL27374898 0.88 NPC1 (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722680 0.85 RAB9A (0.77) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4296002 0.82 RAB9A (0.57) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4307212 0.81 RAB9A (0.56) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL4299079 0.81 TSHR (0.56) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722697 0.79 NPC1 (0.67) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722686 0.77 RAB9A (0.73) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722714 0.77 RAB9A (0.64) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722701 0.75 MEN1 (0.60) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9722717 0.75 NPC1 (0.59) NPC1RAB9AKMT2AMEN1TP53

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