SCHEMBL9749352

SCHEMBL9749352

O=C1CC(=O)N(C2CCCCC2)C(=O)N1CCCCCCCCCCCCN1C(=O)CC(=O)N(C2CCCCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
OPRL1 P41146 3/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
HTR7 P34969 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR1A P08908 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 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
SCHEMBL21080659 0.91 PTGS1 (0.45) KMT2AMAPTMEN1USP2KDM4E
SCHEMBL5440979 0.89 ALDH1A1 (0.42) KMT2AMAPTMEN1USP2KDM4E
SCHEMBL17835297 0.85 ALDH1A1 (0.43) KMT2AMAPTMEN1OPRL1ALDH1A1
SCHEMBL3423304 0.85 OPRL1 (0.38) KMT2AMAPTMEN1USP2OPRL1
SCHEMBL3422828 0.83 ALDH1A1 (0.50) KMT2AUSP2KDM4EPOLBALDH1A1
SCHEMBL11894038 0.82 MEN1 (0.55) KMT2AMAPTMEN1USP2KDM4E
SCHEMBL3422049 0.82 KMT2A (0.44) KMT2AMAPTMEN1KDM4EOPRL1
SCHEMBL5448789 0.81 ALDH1A1 (0.46) KMT2AMAPTPOLBOPRL1ALDH1A1
SCHEMBL3422430 0.80 CYP2C9 (0.47) KMT2AMAPTPOLBOPRL1ALDH1A1
SCHEMBL3420466 0.80 CYP2C9 (0.47) KMT2AMAPTPOLBOPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346339-B1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1992-09-09 EP disclosed
US-4902784-A 1,3 Disubstituted-5-diazobarbituric acids HOECHST CELANESE CORPORATION (US) 1990-02-20 US disclosed
EP-0346339-A1 BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION. HOECHST CELANESE CORP (US) 1989-12-20 EP disclosed
WO-1989005800-A1 NOVEL BARBITURIC ACID COMPOUNDS, PHOTORESISTS THEREFROM AND METHOD FOR PREPARATION HOECHST CELANESE CORPORATION (US) 1989-06-29 WO disclosed