SCHEMBL7436859

SCHEMBL7436859

COC(=O)CNc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 1/20 0.49
ROCK2 O75116 2/20 0.46
MDM2 Q00987 1/20 0.45
BCHE P06276 2/20 0.45
ALDH1A1 P00352 3/20 0.43
FDPS P14324 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRK2 P25098 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7362026 0.84 POLB (0.57) MEN1KMT2ATSHRROCK2BCHE
SCHEMBL658053 0.80 LMNA (0.54) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL13589463 0.80 MDM2 (0.48) TSHRROCK2MDM2BCHEFDPS
SCHEMBL11481061 0.79 MDM2 (0.52) MEN1KMT2AROCK2MDM2BCHE
SCHEMBL7436948 0.79 KDM4E (0.50) KMT2AALDH1A1POLBRAB9AKDM4E
SCHEMBL11650926 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1POLBCA12
SCHEMBL9780021 0.78 KMT2A (0.57) MEN1KMT2AALDH1A1POLBCA12
Benzene SCHEMBL28330086 0.78 LMNA (0.53) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL1713162 0.78 CA1 (0.51) MEN1KMT2ATSHRALDH1A1POLB
Hydrochloric Acid SCHEMBL76327 0.78 LMNA (0.53) MEN1KMT2ATSHRALDH1A1POLB

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed