SCHEMBL18632541

SCHEMBL18632541

O=c1[nH][nH]c(=O)[nH]1.O=c1[nH][nH]c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PNP P00491 1/20 0.32
TYMP P19971 1/20 0.32
IDH1 O75874 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
AOC3 Q16853 1/20 0.31
GDA Q9Y2T3 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
SCHEMBL130780 1.00
SCHEMBL8425513 0.95
Water SCHEMBL28856456 0.95
Hydrazine SCHEMBL10747475 0.91
SCHEMBL30107638 0.78
SCHEMBL20706 0.78
SCHEMBL9471169 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9HPGDTSHR
SCHEMBL1932977 0.74 IDH1 (0.41) ALDH1A1CYP1A2CYP2C9HPGDTSHR
Hydrochloric Acid SCHEMBL237155 0.74 IDH1 (0.41) ALDH1A1HPGDHSD17B10PNPTYMP
SCHEMBL15992544 0.74 IDH1 (0.41) ALDH1A1CYP1A2CYP2C9HPGDTSHR

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-9914798-B2 Supramolecular elastomer networks containing grafted oligoamide hard components THE UNIVERSITY OF AKRON 2018-03-13 US disclosed
US-20170081455-A1 SUPRAMOLECULAR ELASTOMER NETWORKS CONTAINING GRAFTED OLIGOAMIDE HARD COMPONENTS THE UNIVERSITY OF AKRON 2017-03-23 US disclosed