SCHEMBL9877797

SCHEMBL9877797

CC(C)N(N=O)c1ccc(N(N=O)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL11355172 0.88 ALDH1A1 (0.50) ALDH1A1TP53ALOX15KDM4EMEN1
SCHEMBL9878147 0.85
SCHEMBL7773457 0.84 ALDH1A1 (0.63) ALDH1A1TP53ALOX15KDM4EMEN1
SCHEMBL4295727 0.77 ALDH1A1 (0.31) ALDH1A1HSD17B10MAPK1HIF1ATSHR
SCHEMBL7765528 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10794109 0.71 ALDH1A1 (0.35) ALDH1A1TSHRKDM4EHPGDMEN1
SCHEMBL10792605 0.69 CHRNB2 (0.37) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL9877309 0.68 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HIF1ATSHR
SCHEMBL10796243 0.68 CA9 (0.38) ALDH1A1TSHRMAPTMCOLN3
SCHEMBL7102244 0.68

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 3 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
EP-0319733-A2 Process, modified rubbers and rubber compositions THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-06-14 EP 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