SCHEMBL9875138

SCHEMBL9875138

CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 2/20 0.53
NMBR P28336 2/20 0.51
ALDH1A1 P00352 4/20 0.51
TRPV1 Q8NER1 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL9501682 0.80 NMBR (0.58) KMT2AMEN1NMBRKDM4ELMNA
SCHEMBL9503218 0.80 MTNR1A (0.48) KMT2AMEN1NMBRSMN1; SMN2LMNA
SCHEMBL8800082 0.79 KMT2A (0.55) KMT2AMEN1ALDH1A1PLA2G1BATG4B
SCHEMBL24105930 0.76 PDPK1 (0.56) KMT2AMEN1ALDH1A1TAS1R3TAS1R1
SCHEMBL19114860 0.76 PDPK1 (0.56) KMT2AMEN1ALDH1A1TAS1R3TAS1R1
SCHEMBL14521490 0.76 PDPK1 (0.56) KMT2AMEN1ALDH1A1TAS1R3TAS1R1
SCHEMBL9499523 0.75 NMBR (0.48) KMT2AMEN1NMBRALDH1A1PLA2G1B
SCHEMBL30083855 0.75 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL9265604 0.73 EPHX2 (0.58) KMT2AALDH1A1TRPV1LMNAEPHX2
SCHEMBL2466144 0.73 PDPK1 (0.61) KMT2AMEN1ALDH1A1TAS1R3TAS1R1

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-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 US disclosed