SCHEMBL11530600

SCHEMBL11530600

CCCCC(=O)C(c1ccccc1)(c1cccc(C)c1)n1cncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KIF11 P52732 4/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
CTSB P07858 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL11532469 0.93 LMNA (0.36) LMNAKIF11HSP90AA1MEN1KMT2A
SCHEMBL11534036 0.91 LMNA (0.41) LMNAHSP90AA1MEN1KMT2AMAPT
SCHEMBL11531960 0.89 LMNA (0.38) LMNAKIF11HSP90AA1MEN1KMT2A
SCHEMBL11531132 0.84 CYP19A1 (0.41) LMNAHSP90AA1KMT2ACYP3A4CNR2
SCHEMBL11536527 0.84 LMNA (0.43) LMNAHSP90AA1MEN1KMT2AMAPT
SCHEMBL11531850 0.82 LMNA (0.39) LMNAKIF11HSP90AA1MEN1KMT2A
SCHEMBL11534789 0.81 ALDH1A1 (0.39) LMNAMEN1KMT2ACYP3A4CYP2D6
SCHEMBL11536119 0.81 LMNA (0.41) LMNAKIF11HSP90AA1MEN1KMT2A
SCHEMBL11530989 0.80 KCNN4 (0.35) LMNAKIF11HSP90AA1MEN1KMT2A
SCHEMBL11531767 0.78 LMNA (0.45) LMNAHSP90AA1MEN1KMT2AKCNH2

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