SCHEMBL10500172

SCHEMBL10500172

O=C(Oc1ccccc1NCl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 3/20 0.56
NPC1 O15118 2/20 0.56
NR1I2 O75469 1/20 0.56
TP53 P04637 1/20 0.56
AHR P35869 1/20 0.56
RAB9A P51151 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
JAK2 O60674 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL27464722 0.82 KMT2A (0.60) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL16685068 0.81 KMT2A (0.77) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL28462916 0.81 KMT2A (0.59) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL725404 0.80 KMT2A (0.76) KMT2AMAPTSMN1; SMN2LMNASLC6A3
SCHEMBL10930815 0.79 HSD17B10 (0.59) KMT2AMAPTSMN1; SMN2LMNANPC1
Hydrochloric Acid SCHEMBL16050041 0.78 KMT2A (0.73) KMT2AMAPTSMN1; SMN2LMNASLC6A3
Bromide SCHEMBL29588519 0.78 KMT2A (0.73) KMT2AMAPTSMN1; SMN2LMNASLC6A3
SCHEMBL21810498 0.77 RAB9A (0.57) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL28439072 0.76 LMNA (0.55) KMT2AMAPTSMN1; SMN2LMNANPC1
SCHEMBL5706002 0.76 KMT2A (0.63) KMT2AMAPTSMN1; SMN2LMNANPC1

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-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed