SCHEMBL7469045

SCHEMBL7469045

Cc1nocc1C(=O)Nc1ccc2c(c1)COCO2.O=C(Nc1ccc2c(c1)COCO2)c1conc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.41
NPC1 O15118 11/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
TP53 P04637 6/20 0.41
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 3/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 6/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ACACB O00763 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TSHR P16473 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
SCHEMBL6709122 0.94 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6707866 0.91 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6707187 0.81 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6707106 0.79 HPGD (0.49) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6709542 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6710604 0.77 NPC1 (0.63) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6709332 0.76 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6709086 0.74 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6707133 0.72 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL6707854 0.70 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2TP53HPGD

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
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 WO disclosed