SCHEMBL3467903

SCHEMBL3467903

O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
ALDH1A1 P00352 8/20 0.65
MAPT P10636 6/20 0.65
HPGD P15428 6/20 0.65
HSD17B10 Q99714 4/20 0.65
ALOX15 P16050 3/20 0.65
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
RXFP1 Q9HBX9 1/20 0.58
MEN1 O00255 3/20 0.56
POLB P06746 2/20 0.56
APOBEC3G Q9HC16 1/20 0.56
PTPRE P23469 1/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 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
SCHEMBL14970882 0.84 KMT2A (0.72) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3467629 0.83 L3MBTL1 (0.71) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3728312 0.80 KMT2A (0.58) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14966349 0.80 RAB9A (1.00) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL3733698 0.80 KMT2A (0.58) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3726139 0.79 KMT2A (0.48) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL3729690 0.78 KMT2A (0.47) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3466732 0.77 NPC1 (0.72) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3466833 0.76 ALDH1A1 (0.54) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25153579 0.75 ALDH1A1 (0.64) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed