SCHEMBL8132955

SCHEMBL8132955

Cc1nnc(NC(=O)c2c[c]ccc2)s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 3/20 0.69
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 1/20 0.58
KDM4E B2RXH2 2/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
KDM1A O60341 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL8118503 0.83 MAPT (0.64) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL8559915 0.80 GAA (0.56) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL8125122 0.80 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8117715 0.80 RAB9A (0.70) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL8556554 0.77 KMT2A (0.75) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL8124814 0.77 RAB9A (0.70) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL14648355 0.76 RAB9A (1.00) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL8127812 0.76 AQP4 (0.60) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL7348805 0.75 MEN1 (0.71) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL18175982 0.75 MEN1 (0.71) SMN1; SMN2TP53NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP disclosed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP disclosed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO disclosed
US-5532356-A Method for preparing N,N'-disubstituted cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed