SCHEMBL8422201

SCHEMBL8422201

CCCNc1cc(-n2c(C)nc3cccc(C(=O)OCC)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 3/20 0.33
PNP P00491 1/20 0.33
ATM Q13315 2/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8419430 0.95 TSHR (0.37) ALOX15LMNAATMMEN1KMT2A
SCHEMBL8417991 0.91 ALOX15 (0.34) ALOX15LMNAMAPT
SCHEMBL8417428 0.90 RIPK1 (0.37) ALOX15POLB
SCHEMBL8419128 0.88 TSHR (0.38) ALOX15LMNASMN1; SMN2MAPTPOLB
SCHEMBL8421434 0.87 RXFP1 (0.36) ALOX15
SCHEMBL8417957 0.86 ALOX15 (0.41) ALOX15ALDH1A1CYP2C9LMNAKDM4E
SCHEMBL8419183 0.86 ALOX15 (0.41) ALOX15ALDH1A1LMNATP53ATM
SCHEMBL8419605 0.86 ALOX15 (0.39) ALOX15ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8417656 0.85 ALOX15 (0.34) ALOX15
SCHEMBL8421085 0.85 ALOX15 (0.40) ALOX15ALDH1A1LMNAKDM4ENPSR1

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
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed