SCHEMBL11536409

SCHEMBL11536409

CC(=O)C(c1ccccc1)(c1ccccc1C)n1cncn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HSP90AA1 P07900 2/20 0.37
CYP19A1 P11511 4/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
ATM Q13315 1/20 0.31
PDE4B Q07343 1/20 0.30

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 0.87 LMNA (0.49) LMNAHSP90AA1CYP19A1MAPTALDH1A1
SCHEMBL11534615 0.87 LMNA (0.42) LMNAHSP90AA1CYP19A1MAPTPOLB
SCHEMBL11538217 0.82 MAPT (0.37) LMNAHSP90AA1CYP19A1MAPTPOLB
SCHEMBL11533669 0.81 LMNA (0.43) LMNAHSP90AA1CYP19A1MAPTKDM4E
SCHEMBL11533025 0.80 CYP19A1 (0.46) LMNAHSP90AA1CYP19A1MAPTKMT2A
SCHEMBL11536312 0.80 TSHR (0.44) LMNAHSP90AA1CYP19A1MAPTALDH1A1
SCHEMBL11534323 0.79 CYP19A1 (0.41) LMNAHSP90AA1CYP19A1MAPTPOLB
SCHEMBL11533530 0.78 MAPT (0.46) LMNAHSP90AA1CYP19A1MAPTALDH1A1
SCHEMBL11538658 0.78 CYP19A1 (0.45) LMNAHSP90AA1CYP19A1MAPTKDM4E
SCHEMBL11533863 0.78 LMNA (0.40) 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