SCHEMBL6846772

SCHEMBL6846772

O=S(=O)(O)c1cccc(Nc2ncncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 9/20 0.48
▸ SNCA P37840 1/20 0.45
▸ EGFR P00533 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ CCNT1 O60563 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ SYK P43405 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CDK6 Q00534 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
SCHEMBL27604484 0.85 TNNI3K (0.44) TNNI3KSNCAEGFRALDH1A1TSHR
SCHEMBL27397516 0.84 ROCK1 (0.55) TNNI3KEGFRCCNT1CCNE1CDK2
SCHEMBL10490862 0.83 SNCA (0.54) TNNI3KSNCAALDH1A1TSHRHSD17B10
SCHEMBL9818585 0.81 TNNI3K (0.52) TNNI3KSNCAEGFRCCNT1CCNE1
SCHEMBL10341613 0.81 TNNI3K (0.56) TNNI3KSNCAEGFRCCNT1CCNE1
SCHEMBL6476221 0.81 SNCA (0.49) TNNI3KSNCAALDH1A1TSHRHSD17B10
SCHEMBL10598704 0.81 SNCA (0.45) TNNI3KSNCAEGFRALDH1A1TSHR
SCHEMBL11170874 0.81 TNNI3K (0.51) TNNI3KEGFR
SCHEMBL11704167 0.80 TNNI3K (0.54) TNNI3KSNCAEGFRALDH1A1TSHR
SCHEMBL7684666 0.80 SNCA (0.42) SNCAALDH1A1TSHRNAPRTCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959975-B1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK AS (DK) 2004-12-29 — — EP claimed
EP-0959975-B1 NOVEL AFFINITY LIGANDS AND THEIR USE NOVO NORDISK AS (DK) 2004-12-29 — — EP disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 — — US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 — — EP disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 — — WO disclosed
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