SCHEMBL6562322

SCHEMBL6562322

CC(C)C(C)(C)NC(N)=S

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
PTGS2 P35354 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL3971426 0.82 MEN1 (0.32) KMT2AMEN1ALDH1A1HSD17B10PTGS2
SCHEMBL7717260 0.75 PIK3CD (0.34) PIK3CD
SCHEMBL15956404 0.74 PIK3CD (0.40) PIK3CD
SCHEMBL2690051 0.74 PIK3CD (0.50) PIK3CDALDH1A1
SCHEMBL4432270 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL80295 0.71
SCHEMBL17660396 0.70 PIK3CD (0.47) PIK3CDKDM4E
Bromide SCHEMBL27928309 0.70 PIK3CD (0.38) PIK3CD
SCHEMBL27799991 0.67
SCHEMBL12470124 0.66 SMN1; SMN2 (0.43) PIK3CDKMT2AMEN1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed