SCHEMBL9724430

SCHEMBL9724430

CC1=CC(C)(C)N(c2ccc(C)cc2)c2ccc(C=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP2A6 P11509 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ALDH1A3 P47895 3/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9374182 0.80 AR (0.41) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9724434 0.76 NPSR1 (0.55) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3380584 0.75 KMT2A (0.52) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL21037002 0.73 MEN1 (0.37) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3378905 0.69 KMT2A (0.49) NPSR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12239455 0.67 ALDH1A1 (0.61) NPSR1KMT2AMEN1CYP2A6ALDH1A1
SCHEMBL8185276 0.65 CYP2A6 (0.46) KMT2AMEN1CYP2A6SMN1; SMN2LMNA
SCHEMBL28981619 0.65 CYP2A6 (0.94) CYP2A6SMN1; SMN2ALDH1A1ALDH1A3KDM4E
SCHEMBL7038721 0.64 ALDH1A1 (0.61) KMT2AMEN1CYP2A6SMN1; SMN2GAA
SCHEMBL16357246 0.63 P2RX4 (0.43) NPSR1KMT2AMEN1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137795-A Photosensitivity, contrast AGFA-GEVAERT, N.V. (BE) 1992-08-11 US disclosed
EP-0452569-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1991-10-23 EP disclosed