SCHEMBL8308215

SCHEMBL8308215

NCC(=O)Nn1cccc1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CNR2 P34972 2/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
F2R P25116 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
KAT6A Q92794 1/20 0.34
RORC P51449 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 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
Bromide SCHEMBL8304376 0.99 LMNA (0.40) LMNAGAACNR2RAB9APTGS1
SCHEMBL8303462 0.83 CES2 (0.38) GAARAB9AKAT6A
Bromide SCHEMBL10365922 0.82 CES2 (0.37) GAARAB9AKAT6A
Bromide SCHEMBL8305746 0.82 CES2 (0.37) GAARAB9AKAT6A
Bromide SCHEMBL8305743 0.82 CES2 (0.37) GAARAB9AKAT6A
SCHEMBL8441148 0.81 GABRP (0.48) LMNACNR2RAB9APTGS1POLB
Bromide SCHEMBL10367565 0.80 GABRP (0.47) LMNACNR2RAB9APTGS1POLB
Hydrochloric Acid SCHEMBL8304040 0.80 GABRP (0.47) LMNACNR2RAB9APTGS1POLB
SCHEMBL8306246 0.78 CTSD (0.47) LMNAHDAC1
SCHEMBL10909763 0.77 RECQL (0.49) LMNARAB9ACYP2C9CYP2C19

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-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP claimed