SCHEMBL7688464

SCHEMBL7688464

S=c1nc(-c2ccccc2)[nH][nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 10/20 1.00
ALDH1A1 P00352 10/20 0.64
HPGD P15428 8/20 0.64
GAA P10253 7/20 0.64
KDM4E B2RXH2 7/20 0.64
APOBEC3G Q9HC16 5/20 0.64
ALOX12 P18054 3/20 0.64
PKM P14618 1/20 0.64
MPI P34949 5/20 0.61
GFER P55789 4/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 3/20 0.58
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL4186249 0.78 ALDH1A1 (0.66) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL4016895 0.78 DCUN1D1 (0.63) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL23076179 0.74 DCUN1D1 (0.59) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL17541734 0.74 GFER (1.00) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL6981995 0.71 DCUN1D1 (1.00) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL23076178 0.71 DCUN1D1 (0.55) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL2208503 0.68 DCUN1D1 (0.52) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL28371591 0.67 ALDH1A1 (1.00) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL4177353 0.67 DCUN1D1 (0.50) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL15506522 0.65 NR1H2 (0.48) DCUN1D1ALDH1A1HPGDGAAKDM4E

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
EP-4097285-B1 SUBSTITUTED THIOL MELT ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-06-26 EP disclosed
EP-4097284-B1 SUBSTITUTED THIOLATE SALT MELT ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-05-29 EP disclosed
US-11982031-B2 Substituted thiol melt additives 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-05-14 US disclosed
US-20230067250-A1 SUBSTITUTED THIOL MELT ADDITIVES 3M INNOVATIVE PROPERTIES COMPANY 2023-03-02 US disclosed
WO-2002066447-A1 4H-1,2,4-TRIAZOLE-3(2H)-THIONE DERATIVES AS SPHINGOMYELINASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO disclosed
US-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed