SCHEMBL6561073

SCHEMBL6561073

CC(C)(C)CCNC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MLYCD O95822 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.30
PTGS2 P35354 1/20 0.30
HPGD P15428 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
SCHEMBL21231185 0.86 ALDH1A1 (0.33) ALDH1A1TSHRIDO1KMT2A
SCHEMBL6602897 0.83 ALDH1A1 (0.34) ALDH1A1TSHRIDO1KMT2A
Methane SCHEMBL8534170 0.79 SIGMAR1 (0.33) SIGMAR1MLYCD
SCHEMBL14591092 0.77 SIGMAR1 (0.36) SIGMAR1MLYCD
SCHEMBL10258904 0.75 MEN1 (0.38) TSHRSIGMAR1MLYCDKMT2A
SCHEMBL16219346 0.75 SIGMAR1 (0.35) SIGMAR1MLYCD
SCHEMBL6562473 0.75 SIGMAR1 (0.43) TSHRSIGMAR1MLYCD
SCHEMBL20198786 0.75 SIGMAR1 (0.35) SIGMAR1MLYCD
SCHEMBL15344088 0.74 ALDH1A1 (0.48) ALDH1A1TSHRIDO1KMT2AHSD17B10
SCHEMBL561549 0.74

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