SCHEMBL8087281

SCHEMBL8087281

COC(=O)c1ccc(C(=O)N(N)C(=O)c2ccc(N3CCCCC3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 2/20 0.48
CRBN Q96SW2 4/20 0.48
UBE2T Q9NPD8 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
OGA O60502 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
DDB1 Q16531 2/20 0.44
MAPT P10636 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL7326778 0.86 RAB9A (0.71) RAB9ANPC1KMT2AHSD17B10CRBN
SCHEMBL3895677 0.85 RAB9A (0.72) RAB9ANPC1KMT2AHSD17B10CRBN
SCHEMBL7325387 0.81 NPC1 (0.58) RAB9ANPC1KMT2AHSD17B10CRBN
SCHEMBL7313399 0.77 KMT2A (0.53) RAB9ANPC1KMT2AHSD17B10CRBN
SCHEMBL5202526 0.75 RAB9A (0.67) RAB9ANPC1KMT2ACRBNSMN1; SMN2
SCHEMBL9210265 0.75 HRH3 (0.69) RAB9ANPC1KMT2ACRBNKDM4E
SCHEMBL5204132 0.74 RAB9A (0.62) RAB9ANPC1KMT2ACRBNUBE2T
SCHEMBL1331652 0.74 RAB9A (0.73) RAB9ANPC1KMT2ACRBNSMN1; SMN2
SCHEMBL18555777 0.74 RAB9A (0.64) RAB9ANPC1KMT2ACRBNSMN1; SMN2
SCHEMBL30415822 0.73 UBE2T (0.69) HSD17B10UBE2TSMN1; SMN2KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed