SCHEMBL1664598

SCHEMBL1664598

O=C(c1ccc(NC(=O)c2ccc[nH]2)cc1)c1ccc(Nc2ccc(N3CCCC(CO)C3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
GFER P55789 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
JAK2 O60674 1/20 0.42
SYK P43405 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ROCK1 Q13464 1/20 0.41
KMT2A Q03164 4/20 0.41
MCL1 Q07820 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1666548 0.97 RAB9A (0.60) RAB9ANPC1GFERSMN1; SMN2MAPT
SCHEMBL1664600 0.96 RAB9A (0.61) RAB9ANPC1GFERSMN1; SMN2MAPT
SCHEMBL1666546 0.96 NPC1 (0.64) RAB9ANPC1GFERSMN1; SMN2MAPT
SCHEMBL28797314 0.82 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27868382 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1664154 0.82 NPC1 (0.53) RAB9ANPC1GFERMAPTALDH1A1
SCHEMBL1664961 0.82 NPC1 (0.65) RAB9ANPC1GFERSMN1; SMN2MAPT
SCHEMBL1664458 0.81 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1664453 0.80 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27976340 0.79 NPC1 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed