SCHEMBL11447384

SCHEMBL11447384

CCOC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 4/20 0.60
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ POLB P06746 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ RECQL P46063 2/20 0.58
▸ AHR P35869 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KDM4E B2RXH2 5/20 0.54
▸ PABPC1 P11940 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL11441489 0.87 KMT2A (0.64) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11447427 0.84 FTO (0.66) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL10717644 0.80 FTO (0.49) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL13707320 0.77 FTO (0.61) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11433686 0.76 MAPT (0.73) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11434790 0.76 RAD52 (1.00) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11434901 0.76 MAPT (0.69) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11447373 0.75 TYMS (0.64) MAPTLMNA
SCHEMBL6272682 0.74 MAPT (0.73) RAD52KMT2AMEN1MAPTPOLB
SCHEMBL11442040 0.74 MAPT (0.73) RAD52KMT2AMEN1MAPTPOLB

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
US-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 — — US disclosed
Send feedback