SCHEMBL8419174

SCHEMBL8419174

CCCSc1cc(-n2c(C)nc3cccc(C(=O)OCC)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
FGFR1 P11362 1/20 0.32
NMT1 P30419 1/20 0.32

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
SCHEMBL8419161 0.94 ALOX15 (0.39) ALOX15TP53LMNAPOLBMAPT
SCHEMBL8421085 0.91 ALOX15 (0.40) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL8421733 0.91 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8419183 0.86 ALOX15 (0.41) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL8417957 0.86 ALOX15 (0.41) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL8419605 0.86 ALOX15 (0.39) ALDH1A1ALOX15TP53LMNAPOLB
SCHEMBL8418031 0.85 ABCB11 (0.34)
SCHEMBL8422201 0.85 ALOX15 (0.40) ALDH1A1ALOX15MEN1KMT2ATP53
SCHEMBL8419566 0.81 ALOX15 (0.37) ALDH1A1ALOX15TP53LMNAMAPT
SCHEMBL8417426 0.81 TSHR (0.37) ALOX15MEN1KMT2APOLBTSHR

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