SCHEMBL27368501

SCHEMBL27368501

N#Cc1ccc(Oc2cncc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
SCN9A Q15858 1/20 0.46
PPARG P37231 2/20 0.45
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
CYP3A4 P08684 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41
GRM5 P41594 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
SCHEMBL30689378 1.00 CYP19A1 (0.57) CYP19A1SCN9APPARGPARP15PARP10
SCHEMBL921319 0.80 PARP15 (0.49) CYP19A1PARP15PARP10PARP2KDM4E
SCHEMBL30689372 0.80 CYP19A1 (0.57) CYP19A1SCN9APARP15PARP10PARP2
SCHEMBL27368527 0.80 CYP19A1 (0.57) CYP19A1SCN9APARP15PARP10PARP2
SCHEMBL2031226 0.78 CYP3A4 (0.42) CYP19A1SCN9APPARGCYP3A4GAA
SCHEMBL2259191 0.78 MAOB (0.57) CYP19A1PARP15PARP10PARP2KDM4E
SCHEMBL4695678 0.77 MAOA (0.59) SCN9APPARGCYP3A4MEN1LMNA
SCHEMBL4371595 0.77 CYP19A1 (0.66) CYP19A1SCN9APARP15PARP10PARP2
SCHEMBL11545406 0.77 LTA4H (0.48) PPARGMAPTKMT2AGAAHTT
SCHEMBL30689363 0.76 CYP19A1 (0.53) CYP19A1SCN9APARP15PARP10PARP2

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
WO-2023247958-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-28 WO disclosed