SCHEMBL7703754

SCHEMBL7703754

O=C(CCl)NCc1c(O)cc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
JAK2 O60674 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7709626 0.84 MAPT (0.46) ALDH1A1HTTSMN1; SMN2LMNAHDAC3
SCHEMBL7703768 0.84 ALDH1A1 (0.47) TYMSALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8318655 0.77 ALDH1A1 (0.45) TYMSALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL7709815 0.76 TYMS (0.45) TYMSALDH1A1HTTLMNATP53
SCHEMBL7709692 0.71 TYMS (0.51) TYMSALDH1A1TP53MAPK1L3MBTL1
SCHEMBL7712137 0.71 KMT2A (0.44) ALDH1A1HTTLMNAHDAC3HDAC4
SCHEMBL7703859 0.68 TYMS (0.49) TYMSTP53MEN1KMT2A
SCHEMBL7703372 0.66 TYMS (0.46) TYMSALDH1A1
SCHEMBL30608351 0.66 TYMS (0.61) TYMSALDH1A1HTTLMNAL3MBTL1
SCHEMBL4533766 0.66 TYMS (0.61) TYMSALDH1A1HTTLMNAL3MBTL1

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