SCHEMBL2854535

SCHEMBL2854535

Cc1nn(C)c(C)c1OC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 2/20 0.55
HSD17B10 Q99714 3/20 0.54
HPGD P15428 3/20 0.53
GALR3 O60755 1/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL2854621 0.80 TSHR (0.58) SMN1; SMN2RAB9ANPC1HPGDGALR3
SCHEMBL2862872 0.74 CCR1 (0.47) RAB9ANPC1L3MBTL1TSHRMEN1
SCHEMBL2859060 0.73 ALDH1A1 (0.46) ALDH1A1HPGDGAA
SCHEMBL9371939 0.73 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL7423152 0.73 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTNPC1HSD17B10
SCHEMBL2848480 0.73 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL30932891 0.72 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL2937877 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HTTRAB9ANPC1
SCHEMBL2851002 0.71 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTTRAB9AHPGD
SCHEMBL1709310 0.71 HPGD (0.73) SMN1; SMN2ALDH1A1RAB9ANPC1HSD17B10

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed