SCHEMBL11769331

SCHEMBL11769331

CCn1c(=O)[nH]c(=O)n(-c2ccc(Sc3ccc(C(F)(F)F)cc3Cl)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.42
MAOB P27338 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARG P37231 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11770350 0.88 DDR1 (0.39) DDR1MAOBHSP90AA1HSP90B1TRAP1
SCHEMBL11768857 0.86 DDR1 (0.38) DDR1HSP90AA1GAAMEN1KMT2A
SCHEMBL11773256 0.85 GSK3A (0.41) DDR1MAOBSLC6A4
SCHEMBL11768727 0.81 AR (0.40) MAOBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11770055 0.78 PDE7A (0.46) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11772410 0.77 PKM (0.45) MAOBGAAMEN1KMT2ASMN1; SMN2
SCHEMBL11768554 0.77 NOTUM (0.39) DDR1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11768092 0.77 GSK3A (0.42) MAOBNPC1
SCHEMBL11773073 0.75 NPSR1 (0.39) DDR1SMN1; SMN2LMNA
SCHEMBL11768105 0.74 PTGS2 (0.40) MAOBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed