SCHEMBL7709575

SCHEMBL7709575

Cc1cc2c3c(cccc3c1Br)C(=O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.49
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD1 O95696 2/20 0.39
TAF1 P21675 2/20 0.39
BRPF1 P55201 2/20 0.39
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL14380347 0.83 TYMS (0.51) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL7709832 0.81 TYMS (0.32) TYMSMAPTBRD1TAF1BRPF1
SCHEMBL7703859 0.80 TYMS (0.49) TYMSKDM4EMAPTALOX15TDP1
SCHEMBL28200526 0.80 TYMS (0.49) TYMSALOX15TDP1MEN1POLB
SCHEMBL9079081 0.78 TYMS (0.50) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL6984126 0.77 MAPT (0.62) TYMSKDM4EMAPTPABPC1SMN1; SMN2
SCHEMBL7706725 0.76 MAPT (0.53) KDM4EMAPTPABPC1SMN1; SMN2BRD1
SCHEMBL4084412 0.75 TYMS (0.44) TYMSTDP1MEN1KMT2AALDH1A1
SCHEMBL29665023 0.75 TYMS (0.44) TYMSTDP1MEN1KMT2AALDH1A1
SCHEMBL9077602 0.75 TYMS (0.44) TYMSKDM4EMAPTMEN1KMT2A

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