SCHEMBL7703768

SCHEMBL7703768

COc1cc2c3c(cccc3c1CNC(=O)CCl)C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TYMS P04818 5/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
SMARCA2 P51531 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL8318655 0.91 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2CA1CA2
SCHEMBL7703754 0.84 TYMS (0.41) ALDH1A1HTTSMN1; SMN2TYMSKMT2A
SCHEMBL7706740 0.77 KMT2A (0.47) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL7709368 0.74 MAPT (0.56) ALDH1A1HTTPOLBKMT2AMEN1
SCHEMBL7709465 0.74 POLB (0.51) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL7709626 0.69 MAPT (0.46) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL6548245 0.68 KMT2A (0.76) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL30761754 0.68 KMT2A (0.76) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL9079018 0.67 KMT2A (0.49) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL7712218 0.66 KMT2A (0.46) ALDH1A1HTTSMN1; SMN2TYMSPOLB

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
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed