SCHEMBL8712928

SCHEMBL8712928

CCOC(=O)COc1ccc(NC(=O)c2cc3cc(C(=N)N)cnc3o2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 8/20 0.55
CXCR2 P25025 8/20 0.55
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 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
SCHEMBL8712603 0.88 NPC1 (0.48) CXCR1CXCR2NPC1RAB9AMAPT
SCHEMBL8904630 0.85 CXCR1 (0.50) CXCR1CXCR2NPC1RAB9AMAPT
SCHEMBL8712543 0.78 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL8718388 0.76 ALDH1A1 (0.48) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8718100 0.76 TPSAB1 (0.66) NPC1RAB9AMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8712518 0.74 F10 (0.42) MAPTSMN1; SMN2HSD17B10TPSAB1TPSD1
SCHEMBL5846287 0.71 CXCR1 (1.00) CXCR1CXCR2ALDH1A1
SCHEMBL8904101 0.71 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8712746 0.71 RAB9A (0.42) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8712984 0.70 MAPT (0.44) NPC1RAB9AMAPTSMN1; SMN2MEN1

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed