SCHEMBL9489894

SCHEMBL9489894

NCCCC[C@H](NC(=O)CN)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ PLG P00747 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ CALCRL Q16602 1/20 0.45
▸ HDAC4 P56524 2/20 0.44

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
SCHEMBL413179 0.92 CYP1A2 (0.46) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL8342382 0.84 MEN1 (0.43) MEN1KMT2ACYP1A2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28274785 0.83 MEN1 (0.43) MEN1KMT2ACYP1A2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28274778 0.83 MEN1 (0.43) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL8365170 0.82 RAB9A (0.49) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL7618233 0.82 LTA4H (0.61) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL29802269 0.81 KDM1A (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL3103486 0.81 KDM1A (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL17329292 0.81 KDM1A (0.58) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL7850346 0.80 LTA4H (0.54) LTA4HCALCRLROCK2

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-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 — — EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 — — US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 — — EP disclosed
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