SCHEMBL6832263

SCHEMBL6832263

NC(=O)Nc1nc(O)nc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ADORA1 P30542 8/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
APP P05067 2/20 0.42
ACHE P22303 2/20 0.42
ADORA3 P0DMS8 8/20 0.41
ADORA2A P29274 5/20 0.41
IKBKB O14920 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2229906 0.84 NPSR1 (0.56) CYP1A2ADORA1GAALMNAALOX15
SCHEMBL11807135 0.82 TSHR (0.61) CYP1A2ADORA1GAALMNAALOX15
Benzoguanamine SCHEMBL8849771 0.81 ADORA1 (0.61) CYP1A2ADORA1ALOX15TSHRAPP
SCHEMBL11804595 0.79 CYP1A2 (0.47) CYP1A2ADORA1GAALMNAALOX15
SCHEMBL11591938 0.76 PEPD (0.38) CYP1A2GAALMNATSHRMAPK1
SCHEMBL11810363 0.76 CYP1A2 (0.46) CYP1A2ADORA1GAALMNAALOX15
SCHEMBL1534218 0.74 MEN1 (0.54) ADORA1LMNAALOX15TSHRMAPK1
SCHEMBL8038468 0.74 L3MBTL1 (0.58) ADORA1LMNAALOX15TSHRMAPK1
SCHEMBL9566583 0.73 ADORA1 (0.70) ADORA1LMNAMAPK1ADORA3ADORA2A
SCHEMBL11805697 0.72 SMN1; SMN2 (0.51) CYP1A2ADORA1GAALMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3957780-A ULTRAVIOLET LIGHT STABILIZERS, PLASTICS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US claimed
US-3931102-A HYDROXYPHENYL UREIDO TRIAZINE HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed
US-6753363-B1 BASIC NITROGEN-CONTAINING COMPOUND, PHOSPHORUS COMPOUND FLAME RETARDANT, AND AROMATIC COMPOUND ACCELERATOR; MOLDABILITY POLYPLASTICS CO., LTD. (JP) 2004-06-22 US disclosed
US-3957780-A ULTRAVIOLET LIGHT STABILIZERS, PLASTICS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3957780-A ULTRAVIOLET LIGHT STABILIZERS, PLASTICS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3931102-A HYDROXYPHENYL UREIDO TRIAZINE HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed