SCHEMBL7422924

SCHEMBL7422924

CC(C)CC(C(=O)O)N(CCc1csc(-c2ccc3c(c2)CCO3)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CLK1 P49759 2/20 0.52
DNM1L O00429 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 11/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
MAPT P10636 1/20 0.39
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38

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
SCHEMBL1655299 0.81 ATM (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7425245 0.80 HSD17B10 (0.39) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7426729 0.79 TP53 (0.39) RAB9AALDH1A1SMN1; SMN2MAPTSHMT1
SCHEMBL5870572 0.78 PLA2G10 (0.55) PLA2G10RAB9ANPC1CLK1DNM1L
SCHEMBL5869975 0.78 PLA2G10 (0.55) PLA2G10RAB9ANPC1CLK1DNM1L
SCHEMBL7422281 0.78 SHMT1 (0.39) RXFP1MAPTSHMT1SHMT2
SCHEMBL7420766 0.76 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL7423907 0.74 SHMT1 (0.56) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL7422935 0.73 PLA2G10 (0.53) PLA2G10RAB9ANPC1CLK1DNM1L
SCHEMBL7382337 0.73 MAPT (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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