SCHEMBL11254409

SCHEMBL11254409

CCOc1cc(NC(=N)NC(=O)NC(C)(C)C)cc(OCC)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALPL P05186 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL11258869 0.86 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL11247027 0.81 TSHR (0.53) GAATSHRGLAMEN1KMT2A
SCHEMBL11269770 0.81 CYP19A1 (0.43) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL11253949 0.80 CYP3A4 (0.49) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL11244165 0.75 HTT (0.43) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL11250566 0.74 SMN1; SMN2 (0.40) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL11264998 0.74 SMN1; SMN2 (0.40) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL11254618 0.74 IMPDH2 (0.64) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL11056203 0.74 NPC1 (0.49) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL11053847 0.74 HTT (0.49) GAAMEN1KMT2AALDH1A1HTT

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-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed