SCHEMBL10197815

SCHEMBL10197815

Cc1ccc(NC(=O)C2CCN(O)CC2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.52
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.49
MALT1 Q9UDY8 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL10197819 0.89 ALDH1A1 (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12558144 0.89 NPC1 (0.58) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL24746313 0.86 NPC1 (0.62) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL15886244 0.80 NAMPT (0.56) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12764173 0.78 MEN1 (0.69) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15886277 0.77 NPC1 (0.57) KDM4ENPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24354873 0.76 PKM (0.60) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL17029179 0.76 NPC1 (0.60) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL12561534 0.75 NPC1 (0.49) MAPTKDM4ENPC1TSHRRAB9A
SCHEMBL12764175 0.75 RAB9A (0.74) KDM4ENPC1RAB9ASMN1; SMN2MEN1

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