SCHEMBL11058341

SCHEMBL11058341

CNc1ncn(-c2c(C)cccc2OC)c(=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
HCAR1 Q9BXC0 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.35
NQO2 P16083 1/20 0.35
FGFR1 P11362 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11054404 0.88 HCAR1 (0.46) HCAR1FGFR1MEN1POLBKMT2A
SCHEMBL11059402 0.88 KMT2A (0.39) HCAR1L3MBTL1MEN1POLBMAPT
Hydrochloric Acid SCHEMBL11052665 0.86 HCAR1 (0.44) HCAR1FGFR1MEN1POLBKMT2A
SCHEMBL11057840 0.86 FGFR1 (0.36) APLNRHCAR1L3MBTL1SMN1; SMN2FGFR1
SCHEMBL11057854 0.82 HCAR1 (0.41) HCAR1FGFR1MEN1POLBKMT2A
SCHEMBL11059212 0.82 HCAR1 (0.38) HCAR1FGFR1MEN1POLBKMT2A
SCHEMBL11054879 0.82 HCAR1 (0.38) HCAR1FGFR1POLB
SCHEMBL11057681 0.82 APLNR (0.39) APLNRHCAR1L3MBTL1SMN1; SMN2CYP19A1
SCHEMBL11054604 0.82 CHRNA7 (0.47) HCAR1FGFR1MAPK14
SCHEMBL11050172 0.82 HCAR1 (0.38) HCAR1FGFR1MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed