SCHEMBL10197817

SCHEMBL10197817

CCc1ccc(NC(=O)C2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 3/20 0.54
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NAMPT P43490 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
GLA P06280 1/20 0.51
FLT3 P36888 1/20 0.51
NPC1 O15118 1/20 0.50
ULK1 O75385 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
SCHEMBL13766314 0.91 KMT2A (0.55) KMT2AMEN1NPSR1GAATSHR
SCHEMBL9610938 0.89 KMT2A (0.74) KMT2AMEN1NPSR1GAATSHR
SCHEMBL17843850 0.86 SMN1; SMN2 (0.68) KMT2AMEN1NPSR1GAATSHR
SCHEMBL7895100 0.84 PTPN1 (0.68) KMT2AMEN1NPSR1GAATSHR
SCHEMBL26553770 0.84 SPHK1 (0.65) KMT2AMEN1LMNASMN1; SMN2RAB9A
SCHEMBL13144615 0.83 ALDH1A1 (0.58) KMT2AMEN1NPSR1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL25403004 0.83 SPHK1 (0.64) KMT2AMEN1LMNASMN1; SMN2RAB9A
SCHEMBL6956537 0.82 RAB9A (0.82) KMT2AMEN1GAATSHRLMNA
SCHEMBL17845335 0.82 MEN1 (0.61) KMT2AMEN1NPSR1GAATSHR
SCHEMBL13746002 0.82 ALDH1A1 (0.72) KMT2AMEN1TSHRSMN1; SMN2POLB

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
WO-2012006104-A2 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION Academia Sinica, Taiwan (TW) 2012-01-12 WO disclosed