SCHEMBL9723449

SCHEMBL9723449

CC(C)c1cccc(C(C)C)c1N(C(N)=O)C(=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALOX5 P09917 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9723469 0.83 LMNA (0.40) KMT2AMEN1
SCHEMBL9723422 0.78 LMNA (0.45) KMT2AMEN1
SCHEMBL9723522 0.76 KMT2A (0.49) KMT2AMEN1SMN1; SMN2
SCHEMBL5502714 0.74 ALDH1A1 (0.50) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL9723545 0.73 NPSR1 (0.47) KMT2AALDH1A1CYP1A2TSHRALOX5
SCHEMBL9848461 0.73 BCHE (0.40) KMT2AMEN1
SCHEMBL9723571 0.72 HSP90AA1 (0.40) CYP1A2TSHRALOX5SMN1; SMN2
SCHEMBL27021656 0.71 KMT2A (0.65) KMT2AMAPTALDH1A1MEN1CYP1A2
SCHEMBL11060139 0.71 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11562696 0.71 CYP1A2 (0.47) KMT2AALDH1A1MEN1CYP1A2CYP2D6

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-5153223-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1992-10-06 US claimed