SCHEMBL7526304

SCHEMBL7526304

C=CC(N)n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
SLC9A1 P19634 7/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.43
DGAT1 O75907 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.38
RAB9A P51151 2/20 0.37
KCNMA1 Q12791 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL13679333 0.81 SLC9A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL8060038 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL2721771 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL20294466 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1395522 0.79 POLB (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL26427177 0.77 SLC9A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL31107032 0.76 SLC9A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7938772 0.76 SLC9A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7938766 0.76 SLC9A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6794284 0.75 SLC9A1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP claimed
EP-0418013-A2 Direct magnesiation of organic materials ARCH DEVELOPMENT CORPORATION (US) 1991-03-20 EP claimed
US-11352583-B2 Lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2022-06-07 US disclosed
CN-109477030-B Lubricating oil composition 出光兴产株式会社 2022-04-29 CN disclosed
CN-107429183-B Lubricating oil composition 出光兴产株式会社 2021-03-19 CN disclosed
US-20190177648-A1 LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US disclosed
US-20180371355-A1 REFRIGERATION OIL, AND COMPOSITION FOR USE IN REFRIGERATING MACHINE IDEMITSU KOSAN CO., LTD. (JP) 2018-12-27 US disclosed
EP-1244653-A1 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2002-10-02 EP disclosed
EP-1127875-A1 Process for the preparation of alpha-dimethylaminomethyl-tryptophan methyl ester WARNER-LAMBERT COMPANY (US) 2001-08-29 EP disclosed
WO-2001046176-A2 NON PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-06-28 WO disclosed
EP-0418013-A2 Direct magnesiation of organic materials ARCH DEVELOPMENT CORPORATION (US) 1991-03-20 EP disclosed