SCHEMBL9722714

SCHEMBL9722714

O=C(COc1c(Cl)cccc1Cl)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
TP53 P04637 3/20 0.64
PKM P14618 3/20 0.64
MITF O75030 1/20 0.64
HPGD P15428 1/20 0.64
XBP1 P17861 1/20 0.64
GAA P10253 1/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.49

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 0.89 RAB9A (0.73) RAB9ANPC1TP53PKMMITF
SCHEMBL9722697 0.85 NPC1 (0.67) RAB9ANPC1TP53PKMMITF
SCHEMBL10726989 0.84 NPSR1 (0.64) RAB9ANPC1TP53PKMMITF
SCHEMBL10729777 0.83 NOTUM (0.60) RAB9ANPC1TP53PKMMITF
SCHEMBL9722680 0.81 RAB9A (0.77) RAB9ANPC1TP53PKMMITF
SCHEMBL9710367 0.79 KMT2A (0.62) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL9722717 0.79 NPC1 (0.59) RAB9ANPC1TP53PKMMITF
SCHEMBL27374898 0.79 NPC1 (1.00) RAB9ANPC1TP53PKMMITF
SCHEMBL5638709 0.78 KMT2A (0.70) NPC1GAAKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL7014888 0.78 GAA (0.69) RAB9ANPC1TP53PKMMITF

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