SCHEMBL8127812

SCHEMBL8127812

O=C(Nc1nncs1)c1c[c]ccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.60
LMNA P02545 4/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3379803 0.82 AQP4 (0.70) AQP4LMNATSHRALDH1A1HSD17B10
SCHEMBL5249375 0.77 NPC1 (0.68) LMNAHSD17B10HPGDMEN1KMT2A
SCHEMBL8132955 0.76 SMN1; SMN2 (0.69) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL3178559 0.75 AQP4 (1.00) AQP4LMNATSHRMEN1KMT2A
SCHEMBL8124814 0.75 RAB9A (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8554147 0.74 LMNA (0.65) AQP4LMNAALDH1A1HSD17B10HPGD
SCHEMBL7348856 0.74 LMNA (0.62) AQP4LMNATSHRALDH1A1HSD17B10
SCHEMBL8118503 0.73 MAPT (0.64) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL9963857 0.73 KDM4E (0.61) AQP4LMNATSHRALDH1A1HSD17B10
SCHEMBL8117715 0.72 RAB9A (0.70) LMNAALDH1A1HSD17B10MEN1KMT2A

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