SCHEMBL11530653

SCHEMBL11530653

O=C(c1ccc(Cl)cc1)C(c1ccccc1)(c1ccccc1)n1cnnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NR4A1 P22736 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL11533473 0.95 CES1 (0.42) CES1CES2KMT2AMEN1L3MBTL1
SCHEMBL11534465 0.89 CES1 (0.47) CES1CES2KMT2AMAPTCYP2C19
SCHEMBL11532022 0.85 KMT2A (0.40) CES1CES2KMT2AMEN1HTT
SCHEMBL11531704 0.82 KMT2A (0.38) CES1CES2KMT2AMEN1MAPT
SCHEMBL11532194 0.81 BCL2 (0.39) KMT2AMEN1L3MBTL1
SCHEMBL11530455 0.79 BCL2 (0.37) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL11531469 0.77 SMN1; SMN2 (0.47) CES1CES2KMT2AMEN1MAPT
SCHEMBL11533371 0.77 SMN1; SMN2 (0.38) CES1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL11532826 0.76 SMN1; SMN2 (0.46) CES1CES2KMT2AMEN1MAPT
SCHEMBL11535983 0.75 MEN1 (0.41) KMT2AMEN1CYP2C9CYP2C19TSHR

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