SCHEMBL8116271

SCHEMBL8116271

O=C(O)NC(Cc1ccccc1)C(=O)NNC(=O)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.58
ECE1 P42892 1/20 0.58
GAA P10253 3/20 0.55
LMNA P02545 1/20 0.52
CTRC Q99895 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR132 Q9UNW8 4/20 0.51
CMKLR2 P46091 1/20 0.51
CMKLR1 Q99788 1/20 0.51
CYP2C9 P11712 3/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
CTSL P07711 2/20 0.49
GRIA1 P42261 1/20 0.49
CTSV O60911 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
SCHEMBL8121348 0.88 USP30 (0.56) TACR1GAAKMT2AGPR132GRIA1
SCHEMBL7976251 0.88 TACR1 (0.79) TACR1ECE1LMNAKMT2ACTSL
SCHEMBL8115805 0.87 TACR1 (0.73) TACR1KMT2ACTSLCTSBCTSS
SCHEMBL7971284 0.85 GPR132 (0.56) TACR1ECE1LMNAMEN1NPC1
SCHEMBL7972845 0.85 CYP3A4 (0.57) TACR1ECE1GAAMEN1RAB9A
SCHEMBL7415738 0.82 ECE1 (0.64) ECE1LMNACTRCMEN1NPC1
SCHEMBL27520437 0.82 ECE1 (0.64) ECE1LMNACTRCMEN1NPC1
SCHEMBL15869689 0.81 ECE1 (0.62) ECE1GAALMNACTRCMEN1
SCHEMBL7970040 0.81 TACR1 (0.67) TACR1KMT2ACTSLCTSBCTSS
SCHEMBL30037998 0.81 GPR132 (0.69) ECE1LMNACTRCMEN1NPC1

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-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed