SCHEMBL9822964

SCHEMBL9822964

CC1(c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CRHBP P24387 1/20 0.48
CYP2C19 P33261 1/20 0.48
CRHR2 Q13324 1/20 0.48
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ABCB1 P08183 1/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL9395569 0.74 MAPT (0.72) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL7102532 0.74 LMNA (0.47) LMNA
SCHEMBL1038903 0.73 MAPT (0.67) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2465858 0.71 MAPT (0.75) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL594650 0.71 MAPT (0.61) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL5454466 0.71 MAPT (0.61) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL2130528 0.70 MAPT (0.60) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL15311207 0.70 HTT (0.61) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL5951699 0.70 KMT2A (0.71) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL102602 0.70 MAPT (0.77) MAPTMEN1KMT2ALMNACYP1A2

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-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed