SCHEMBL8125122

SCHEMBL8125122

Cc1cnc(NC(=O)c2c[c]ccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 12/20 0.56
NPC1 O15118 11/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
PKM P14618 3/20 0.56
LMNA P02545 1/20 0.52
PAX8 Q06710 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL8557237 0.83 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1270133 0.83 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8132955 0.80 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8117715 0.78 RAB9A (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8554959 0.78 RAB9A (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL28419309 0.77 SMYD3 (0.36) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL233270 0.77 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1353749 0.76 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8124814 0.76 RAB9A (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7352140 0.76 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 5 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-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