SCHEMBL8610236

SCHEMBL8610236

O=C(O)c1cccnc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
DHODH Q02127 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
JAK2 O60674 5/20 0.51
TYK2 P29597 5/20 0.51
JAK1 P23458 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 1/20 0.50
CLCN2 P51788 1/20 0.50
SLC16A3 O15427 1/20 0.48
USP2 O75604 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ACLY P53396 1/20 0.46

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
SCHEMBL18640822 0.87 GRM4 (0.58) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL18640754 0.79 RAB9A (0.65) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL1307643 0.79 MEN1 (0.63) DHODHSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL3617679 0.79 RAB9A (0.59) ALDH1A1DHODHSMN1; SMN2MEN1RAB9A
SCHEMBL1307493 0.79 DHODH (0.56) ALDH1A1DHODHSMN1; SMN2MEN1RAB9A
SCHEMBL3820618 0.78 HTT (0.66) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL8613320 0.78 DHODH (0.52) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL8604699 0.77 DHODH (0.64) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL18640728 0.77 DHODH (0.64) ALDH1A1GAADHODHSMN1; SMN2MEN1
SCHEMBL8798613 0.77 DHODH (0.54) DHODHSMN1; SMN2MEN1RAB9AKMT2A

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
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed