SCHEMBL3112948

SCHEMBL3112948

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)/C1=C\c1cccnc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
RIPK1 Q13546 2/20 0.34
CES2 O00748 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CAPN1 P07384 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 1/20 0.30
TACR1 P25103 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3112950 1.00 GFER (0.35) GFERRIPK1CES2HDAC6KMT2A
SCHEMBL12540135 1.00 GFER (0.35) GFERRIPK1CES2HDAC6KMT2A
SCHEMBL3113775 0.84 GFER (0.37) GFERCES2HDAC6KMT2AALDH1A1
SCHEMBL3113774 0.84 GFER (0.37) GFERCES2HDAC6KMT2AALDH1A1
SCHEMBL2794403 0.84 GFER (0.39) GFERRIPK1CES2HDAC6KMT2A
SCHEMBL2794405 0.84 GFER (0.39) GFERRIPK1CES2HDAC6KMT2A
SCHEMBL3112682 0.82 GFER (0.38) GFERCES2HDAC6KMT2ACAPN1
SCHEMBL3112688 0.82 GFER (0.38) GFERCES2HDAC6KMT2ACAPN1
SCHEMBL3113702 0.78 GFER (0.41) GFERCES2HDAC6KMT2AALDH1A1
SCHEMBL2793358 0.78 GFER (0.41) GFERCES2HDAC6KMT2ACAPN1

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-1971581-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-04-07 EP disclosed