SCHEMBL7916990

SCHEMBL7916990

O=C(O)c1nn(Cc2ccccc2)c2c1CCc1cc(OCc3cncnc3)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ S1PR1 P21453 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ PRKX P51817 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL7903219 0.93 LMNA (0.38) LMNASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7903245 0.91 SMN1; SMN2 (0.44) LMNASMN1; SMN2NPSR1MAOAMAOB
Hydrochloric Acid SCHEMBL7911590 0.91 ITGB3 (0.37) LMNASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7916986 0.91 ALDH1A1 (0.46) LMNASMN1; SMN2NPSR1CCNA2CDK2
SCHEMBL7911558 0.90 ALDH1A1 (0.40) LMNASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7910595 0.89 L3MBTL1 (0.35) LMNASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7910597 0.87 ALDH1A1 (0.36) LMNASMN1; SMN2NPSR1MAOAMAOB
SCHEMBL7911564 0.85 SIRT2 (0.40) LMNASMN1; SMN2NPSR1MAOBKDM4E
SCHEMBL7903260 0.84 SMN1; SMN2 (0.39) LMNASMN1; SMN2NPSR1CCNA2CDK2
SCHEMBL7913431 0.83 SMN1; SMN2 (0.47) LMNASMN1; SMN2NPSR1MAOAMAOB

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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