SCHEMBL11518924

SCHEMBL11518924

COC(=O)C(C)N(C(=O)COC(C)C)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
PLA2G1B P04054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
BCL2A1 Q16548 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL11520682 0.90 KMT2A (0.40) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11517144 0.81 RORC (0.53) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11516684 0.77 KMT2A (0.55) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11520677 0.76 NLRP3 (0.38) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL9505890 0.74 KMT2A (0.42) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11521431 0.73 MEN1 (0.47) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL10406743 0.72 KMT2A (0.45) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11518618 0.72 MEN1 (0.52) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL11760331 0.70 RORC (0.46) KMT2AHTTMEN1PLA2G1BNPSR1
SCHEMBL8622030 0.70 ALDH1A1 (0.46) KMT2AHTTMEN1PLA2G1BNPSR1

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-4151299-A Certain aniline derivatives as microbicidal agents CIBA-GEIGY CORPORATION (US) 1979-04-24 US claimed