SCHEMBL11538217

SCHEMBL11538217

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.35
HSP90AA1 P07900 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.32
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11540161 0.90 MAPT (0.41) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11532987 0.89 KMT2A (0.36) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11532813 0.83 TSHR (0.44) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11531549 0.83 CYP19A1 (0.41) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11536409 0.82 LMNA (0.41) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11534615 0.80 LMNA (0.42) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11534368 0.77 LMNA (0.45) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11531851 0.75 HSP90AA1 (0.35) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11531767 0.74 LMNA (0.45) MAPTLMNAHSP90AA1KMT2AMEN1
SCHEMBL11532671 0.73 LMNA (0.35) MAPTLMNAHSP90AA1KMT2AMEN1

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