SCHEMBL5228396

SCHEMBL5228396

CC(C)N(c1nn(-c2ccc(CCc3ccccc3)cc2)cc1OC(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
RORC P51449 3/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL5229387 0.92 SMN1; SMN2 (0.35) KMT2AALDH1A1KDM4EOPRM1MEN1
SCHEMBL5233446 0.92 NPC1 (0.35) KMT2AALDH1A1USP2KDM4EMEN1
SCHEMBL5232338 0.91 S1PR1 (0.34) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5235412 0.91 NAMPT (0.31)
SCHEMBL5238208 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5236387 0.90 KDM4E (0.39) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL5236015 0.90 KDM4E (0.43) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL5236136 0.89
SCHEMBL5236924 0.89 RORC (0.35) KMT2ARORC
SCHEMBL5234510 0.89 PARP1 (0.31)

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
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed