SCHEMBL9877309

SCHEMBL9877309

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Hydrochloric Acid SCHEMBL11450008 0.76 ALDH1A1 (0.42) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL12062810 0.68 ALDH1A1 (0.39) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL9877797 0.68 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL1027879 0.67 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL9877311 0.66 ALDH1A1 (0.41) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL180055 0.65 ALDH1A1 (0.67) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL1115832 0.64 ALDH1A1 (0.54) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL9877223 0.64 ALDH1A1 (0.44) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL103850 0.64 ALDH1A1 (1.00) ALDH1A1TP53TSHRMAPK1HIF1A
SCHEMBL2759656 0.63 ALDH1A1 (0.47) ALDH1A1TP53TSHRMAPK1HIF1A

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