SCHEMBL7743909

SCHEMBL7743909

O=C(O)c1nc2ccccc2nc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HRH4 Q9H3N8 1/20 0.49
PDE5A O76074 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
MGMT P16455 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL27303694 0.88 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPTSMN1; SMN2HRH4
SCHEMBL335134 0.81 ALDH1A1 (0.60) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4703021 0.78 SMN1; SMN2 (0.62) L3MBTL1ALDH1A1MAPTSMN1; SMN2NR4A1
SCHEMBL31645659 0.78 CYP3A4 (0.48) ALDH1A1MAPTSMN1; SMN2PDE5AMEN1
SCHEMBL27791366 0.76 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2PDE5ANR4A1
SCHEMBL26812621 0.76 L3MBTL1 (1.00) L3MBTL1ALDH1A1MAPTSMN1; SMN2HRH4
SCHEMBL19936505 0.76 TDP1 (0.59) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8701413 0.75 ALDH1A1 (0.49) L3MBTL1ALDH1A1NR4A1NR4A2NR4A3
SCHEMBL29860539 0.75 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL351486 0.75 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159303-C Preparation of intermediate for monocyclic beta-lactams derivatives ER 2004-07-28 CN disclosed
US-6329497-B1 ANTITUMOR AGENTS; VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS THE SCRIPPS RESEARCH INSTITUTE 2001-12-11 US disclosed
CN-1067053-C A process for preparing the intermediate of the derivatives of monocycle beta-lactam antibiotics SQUIBB & SONS INC (US) 2001-06-13 CN disclosed
EP-0996458-A4 SANDRAMYCIN ANALOGS SCRIPPS RESEARCH INST (US) 2001-05-02 EP disclosed
EP-0996458-A1 SANDRAMYCIN ANALOGS The Scripps Research Institute (US) 2000-05-03 EP disclosed
CN-1251836-A Preparation of intermediate for monocyclic beta-lactams derivatives SQUIBB & SONS INC (US) 2000-05-03 CN disclosed
WO-1998043663-A1 SANDRAMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-10-08 WO disclosed
CN-1031825-C Process for the preparation of heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1996-05-22 CN disclosed
CN-1113228-A A process for preparing the intermediate of the derivatives of monocycle beta-lactam antibiotics SQUIBB & SONS INC (US) 1995-12-13 CN disclosed
CN-1061414-A HETEROAROYL DERIVATIVES OF MONOCYCLIC BETA-LACTAM ANTIBIOTICS SQUIBB & SONS INC (US) 1992-05-27 CN disclosed