SCHEMBL7982336

SCHEMBL7982336

CCOc1cc(OCC)c(NC(=O)N(S)c2ccc(CC(=O)O)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 2/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 1/20 0.39
AGPAT2 O15120 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL7639437 0.86 ALDH1A1 (0.43) KDM4EMAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7676263 0.84 LMNA (0.43) KDM4ENPC1MITFRAB9ATHRB
SCHEMBL6816478 0.79 RORC (0.53) KDM4ERORCALDH1A1KMT2AGAA
SCHEMBL6815477 0.79 RORC (0.53) KDM4ERORCALDH1A1KMT2AGAA
SCHEMBL7868199 0.72 HPGD (0.56) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6814942 0.72 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6814738 0.72 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6810869 0.71 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6816651 0.71 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL7165778 0.71 KMT2A (0.52) KDM4EALDH1A1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed