SCHEMBL9877239

SCHEMBL9877239

CCC(C)N(N=O)c1ccc(N(N=O)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4295727 0.81 ALDH1A1 (0.31) TSHRSMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL9878434 0.79 MEN1 (0.39) CNR1CNR2TSHRHTTSMN1; SMN2
SCHEMBL9878147 0.76
SCHEMBL10792506 0.75 CNR1 (0.44) CNR1CNR2TSHRSMN1; SMN2ALDH1A1
SCHEMBL10794109 0.75 ALDH1A1 (0.35) CNR1CNR2TSHRALDH1A1KDM4E
SCHEMBL10792605 0.73 CHRNB2 (0.37) CNR1CNR2HTTNPSR1ALDH1A1
SCHEMBL10796814 0.73 PDE2A (0.38) ALDH1A1
SCHEMBL4491483 0.72 HRH4 (0.36) CNR1CNR2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10791610 0.72 CYP2C9 (0.41) CNR2TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6694230 0.71 ESR1 (0.47) TSHRSMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001171-A Process, modified rubbers and rubber compositions BRIDGESTONE/FIRESTONE, INC. (US) 1991-03-19 US disclosed
US-4788229-A BLENDING MIXTURES OF UNCURED ELASTOMERS AND FILLERS CONTAINING ELASTOMER-FILLER LINKAGE PROMOTERS; TIRES; FRICTION RESISTANCE; REDUCED HYSTERESIS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1988-11-29 US disclosed