SCHEMBL27417480

SCHEMBL27417480

CC(C)C(=O)c1ccc(-c2ccc(Cl)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
KCNQ3 O43525 3/20 0.47
KCNQ2 O43526 3/20 0.47
PIK3CD O00329 1/20 0.46
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
CYP2A6 P11509 1/20 0.43
DGAT1 O75907 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
LMNA P02545 1/20 0.41
KCNE1 P15382 2/20 0.41
KCNQ1 P51787 2/20 0.41
PDPK1 O15530 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DBH P09172 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 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
SCHEMBL30530049 0.85 NAPRT (0.62) NAPRTKCNQ3KCNQ2POLBPKM
SCHEMBL14519853 0.85 NAPRT (0.62) NAPRTKCNQ3KCNQ2POLBPKM
SCHEMBL1742846 0.82 NAPRT (0.53) NAPRTKCNQ3KCNQ2PIK3CDCYP2A6
SCHEMBL12418688 0.81 KDM4E (0.56) POLBSMN1; SMN2LMNAPDPK1KDM4E
SCHEMBL1109095 0.80 NAPRT (0.71) NAPRTKCNQ3KCNQ2PIK3CDCYP2A6
SCHEMBL11307780 0.80 CES2 (0.48) SMN1; SMN2LMNAPDPK1KDM4EDBH
SCHEMBL12582087 0.79 MKNK1 (0.68) CYP2A6MKNK1MKNK2
SCHEMBL5075261 0.79 MKNK1 (0.66) NAPRTKCNQ3KCNQ2PIK3CDMKNK1
SCHEMBL24198706 0.78 NAPRT (0.49) NAPRTKCNQ3KCNQ2PIK3CDPOLB
SCHEMBL2952147 0.78 KDM4E (0.50) NAPRTKCNQ3KCNQ2SMN1; SMN2MKNK1

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-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed