SCHEMBL27648178

SCHEMBL27648178

NC(=O)C1C=CC=CC1(N)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAOB P27338 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL27660328 0.88 HSD11B1 (0.35) LMNAHSD11B1MAOBAKR1C1
SCHEMBL28551028 0.84 HTT (0.33)
SCHEMBL7588416 0.81 LMNA (0.35) LMNAPOLBCYP3A4PARP1MAPT
Urea SCHEMBL10593912 0.80 MAOB (0.32) LMNAPOLBCYP3A4PARP1MAPT
SCHEMBL27621152 0.79 LMNA (0.33) LMNAPOLBCYP3A4PARP1MAPT
SCHEMBL7340572 0.79 HTT (0.33) LMNAPOLBCYP3A4PARP1MAPT
SCHEMBL8330201 0.78 LMNA (0.31) LMNA
SCHEMBL8752629 0.75 MAOB (0.32) MAOB
SCHEMBL15389098 0.75 MAOB (0.34) LMNAMAOB
SCHEMBL15346092 0.75 KDM1A (0.30) MAOB

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
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed