SCHEMBL7426729

SCHEMBL7426729

Cc1cc(C)cc(-c2nc(CCN(C(=O)O)C(CC(C)C)C(=O)O)cs2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
SHMT1 P34896 2/20 0.36
SHMT2 P34897 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7422281 0.88 SHMT1 (0.39) TP53MAPTLMNASHMT1SHMT2
SCHEMBL1655299 0.87 ATM (0.46) TP53POLBMAPTLMNASMN1; SMN2
SCHEMBL7425245 0.86 HSD17B10 (0.39) TP53MAPTLMNASHMT1SHMT2
SCHEMBL7426906 0.83 HDAC1 (0.37)
SCHEMBL7382337 0.83 MAPT (0.41) POLBMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL7424802 0.80 ALDH1A1 (0.36) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL7420766 0.80 ALDH1A1 (0.47) TP53POLBMAPTLMNASHMT1
SCHEMBL7423907 0.80 SHMT1 (0.56) MAPTSHMT1SHMT2SMN1; SMN2RAB9A
SCHEMBL7423323 0.80 BCHE (0.33) TP53
SCHEMBL7422924 0.79 PLA2G10 (0.53) MAPTSHMT1SHMT2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed