SCHEMBL9749674

SCHEMBL9749674

CC(=O)N(c1ccc(C)cc1)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 2/20 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
SCHEMBL9238715 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL460778 0.79 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL12258283 0.77 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL13152273 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL14570744 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL8927497 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL9429272 0.74 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL8206890 0.73 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL13811352 0.73 ELANE (0.40) ALDH1A1HPGDKDM4EMAPTCYP3A4
SCHEMBL8723948 0.72 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTCYP3A4

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
JP-4193852-A None JP disclosed
JP-H04193852-A N-ARYL-1-AMINOPYRENE DERIVATIVE AND ITS PRODUCTION RICOH CO LTD 1992-07-13 JP disclosed