SCHEMBL11533863

SCHEMBL11533863

CSc1ccc(C(C(C)=O)(c2ccccc2)n2cncn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KIF11 P52732 1/20 0.39
HSP90AA1 P07900 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP19A1 P11511 4/20 0.35
MAPT P10636 1/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
PLK1 P53350 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL11532706 0.89 LMNA (0.49) LMNAHSP90AA1CYP19A1MAPTMEN1
SCHEMBL11533669 0.85 LMNA (0.43) LMNAHSP90AA1CYP19A1MAPTMEN1
SCHEMBL11533025 0.84 CYP19A1 (0.46) LMNAKIF11HSP90AA1CYP19A1MAPT
SCHEMBL11536312 0.84 TSHR (0.44) LMNAHSP90AA1CYP19A1MAPTMEN1
SCHEMBL11533530 0.82 MAPT (0.46) LMNAKIF11HSP90AA1CYP19A1MAPT
SCHEMBL11538658 0.82 CYP19A1 (0.45) LMNAHSP90AA1CYP19A1MAPTMEN1
SCHEMBL11533163 0.81 TSHR (0.42) LMNAHSP90AA1MAPTMEN1KMT2A
SCHEMBL11536149 0.80 CYP19A1 (0.55) LMNAKIF11HSP90AA1CYP19A1MAPT
SCHEMBL11533466 0.79 MAPT (0.40) LMNAMAPTPOLBMEN1KMT2A
SCHEMBL11536409 0.78 LMNA (0.41) LMNAHSP90AA1CYP19A1MAPTPOLB

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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed