SCHEMBL23957490

SCHEMBL23957490

CCn1c(=O)[nH]c2cnc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PGR P06401 1/20 0.44
MAOB P27338 3/20 0.43
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 2/20 0.38
ADORA2A P29274 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL19199990 0.81 CYP1A2 (0.54) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL23930346 0.79 LMNA (0.49) MEN1KMT2ALMNAPGRMAOB
SCHEMBL31731649 0.79 LMNA (0.49) MEN1KMT2ALMNAPGRMAOB
SCHEMBL7063351 0.77 CYP1A2 (0.65) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL23930353 0.76 MEN1 (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL15749623 0.75 POLB (0.49) PGRMAOBPOLBB3GNT2
SCHEMBL22191016 0.74 CYP1A2 (0.60) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL15999458 0.72 PDE4A (0.44) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL6904350 0.71 CYP1A2 (0.67) CYP1A2MEN1KMT2ALMNACYP3A4
SCHEMBL6904502 0.71 CYP1A2 (0.60) CYP1A2MEN1KMT2ALMNACYP3A4

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-2021213929-A1 PESTICIDALLY ACTIVE SUBSTITUTED 1,3-DIHYDRO-2H-IMIDAZO[4,5-C]PYRIDIN-2-ONE DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-10-28 WO disclosed