SCHEMBL7399041

SCHEMBL7399041

CN1C2CCC1CC(N(C(N)=O)c1ccccc1-c1nc(-c3ccccc3)no1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHUK O15111 1/20 0.42
CASP3 P42574 1/20 0.42
TXNRD1 Q16881 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 2/20 0.39
MAPK1 P28482 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39

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
SCHEMBL9821867 1.00 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL7401003 0.96 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL9821920 0.96 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL9821859 0.89 HCRTR1 (0.40) KMT2A
SCHEMBL7401290 0.89 HCRTR1 (0.40) KMT2A
SCHEMBL7395468 0.87 FABP4 (0.36) CASP3SENP7SENP6
SCHEMBL9363873 0.83 FABP4 (0.37) CYP3A4CASP3SENP7SENP6
SCHEMBL7396015 0.83 FABP4 (0.37) CYP3A4CASP3SENP7SENP6
SCHEMBL9821927 0.83 TDP1 (0.41)
SCHEMBL7397762 0.83 TDP1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed