SCHEMBL9036588

SCHEMBL9036588

COc1cccc(NC(=O)NN)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.71
TSHR P16473 1/20 0.71
RAB9A P51151 9/20 0.66
NPC1 O15118 7/20 0.66
ALDH1A1 P00352 4/20 0.66
MITF O75030 1/20 0.66
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 5/20 0.62
HTT P42858 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.62
MAPK1 P28482 1/20 0.62
STAT1 P42224 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
USP2 O75604 1/20 0.61
GAA P10253 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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 SCHEMBL9004726 0.98 TP53 (0.69) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL4893387 0.90 TP53 (0.87) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL31040569 0.90 TP53 (0.87) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL17084260 0.88 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL14442613 0.85 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL7610775 0.85 TP53 (0.73) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL6388689 0.85 TP53 (0.73) TP53TSHRRAB9ANPC1ALDH1A1
1,3-Dimethoxybenzene SCHEMBL27309880 0.84 PARP1 (0.56) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL6388684 0.83 TP53 (0.71) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL166106 0.83 TP53 (0.66) TP53TSHRRAB9ANPC1ALDH1A1

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
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed