SCHEMBL8318655

SCHEMBL8318655

COc1cc2c3c(cccc3c1)C(=O)OC2=O.COc1cc2c3c(cccc3c1CNC(=O)CCl)C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TYMS P04818 2/20 0.43
PTPN1 P18031 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
RAD52 P43351 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7703768 0.91 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2TYMSPTPN1
SCHEMBL7703754 0.77 TYMS (0.41) ALDH1A1HTTSMN1; SMN2TYMSLMNA
SCHEMBL7709415 0.74 TYMS (0.58) TYMSRAD52KMT2A
SCHEMBL7706740 0.70 KMT2A (0.47) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL7709368 0.68 MAPT (0.56) ALDH1A1HTTPTPN1POLBLMNA
SCHEMBL7709465 0.67 POLB (0.51) ALDH1A1HTTSMN1; SMN2TYMSPOLB
SCHEMBL17726769 0.65 TYMS (0.53) ALDH1A1SMN1; SMN2TYMSMEN1KMT2A
SCHEMBL15119613 0.65 MAOA (0.42) ALDH1A1TYMSRAD52
SCHEMBL8461080 0.65 KMT2A (0.55) ALDH1A1HTTPOLBLMNARAD52
SCHEMBL9080103 0.64 ALOX5 (0.44) ALDH1A1SMN1; SMN2TYMSPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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