SCHEMBL11441489

SCHEMBL11441489

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.64
▸ MAPT P10636 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ POLB P06746 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ RECQL P46063 2/20 0.64
▸ AHR P35869 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ RAD52 P43351 3/20 0.63
▸ KDM4E B2RXH2 4/20 0.59
▸ PABPC1 P11940 1/20 0.59
▸ S1PR1 P21453 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ PAX8 Q06710 1/20 0.59
▸ KLK7 P49862 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL11447384 0.87 RAD52 (0.60) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL14557208 0.83 KLK7 (0.57) KMT2AMAPTMEN1POLBAHR
SCHEMBL11440392 0.82 FTO (0.71) KMT2AMAPTMEN1POLBAHR
SCHEMBL8395426 0.81 SIRT1 (0.65) MAPTKLK7RXFP1CYP1A2CYP3A4
SCHEMBL3851575 0.81 KMT2A (0.67) KMT2AMAPTMEN1POLBKDM4E
SCHEMBL5123962 0.81 KDM4E (0.64) KMT2AMAPTMEN1KDM4EKLK7
SCHEMBL10720844 0.80 HEXA (0.57) KDM4EHTTKLK7FTOGAA
SCHEMBL11433686 0.80 MAPT (0.73) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL11434901 0.80 MAPT (0.69) KMT2AMAPTMEN1POLBRAB9A
SCHEMBL8668083 0.80 KLK7 (0.53) KMT2AMAPTMEN1POLBNPSR1

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
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