SCHEMBL9722697

SCHEMBL9722697

O=C(COc1cccc(Cl)c1Cl)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
RAB9A P51151 7/20 0.67
TP53 P04637 3/20 0.67
HPGD P15428 3/20 0.67
PKM P14618 2/20 0.67
MITF O75030 1/20 0.67
XBP1 P17861 1/20 0.67
LMNA P02545 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.55
SFN P31947 1/20 0.53
MAPT P10636 2/20 0.53
SENP2 Q9HC62 1/20 0.52
SENP1 Q9P0U3 1/20 0.52
NOTUM Q6P988 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL9722714 0.85 RAB9A (0.64) NPC1RAB9ATP53HPGDPKM
SCHEMBL9722680 0.83 RAB9A (0.77) NPC1RAB9ATP53HPGDPKM
SCHEMBL27374898 0.81 NPC1 (1.00) NPC1RAB9ATP53HPGDPKM
SCHEMBL9722691 0.79 NPC1 (0.80) NPC1RAB9ATP53HPGDPKM
SCHEMBL7009383 0.78 NPC1 (0.64) NPC1RAB9ATP53HPGDPKM
SCHEMBL9722686 0.77 RAB9A (0.73) NPC1RAB9ATP53HPGDPKM
SCHEMBL28815524 0.76 OGG1 (0.59) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL9722705 0.75 RAB9A (0.71) NPC1RAB9ATP53HPGDPKM
Hydrochloric Acid SCHEMBL7014888 0.75 GAA (0.69) NPC1RAB9ATP53HPGDPKM
SCHEMBL969459 0.74 NPC1 (0.71) NPC1RAB9ATP53HPGDPKM

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