SCHEMBL7446400

SCHEMBL7446400

CC(C)(C)OC(=O)CC(NC(=O)SCCCc1ccccc1)C(=O)Cn1nnc(-c2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7432370 0.89 HPGD (0.48) RAB9ANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL7438139 0.85 P2RX7 (0.36)
SCHEMBL7447168 0.77 RAB9A (0.60) RAB9ANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL7677990 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBMAPTTHRB
SCHEMBL7431049 0.77 CYP1A2 (0.49) RAB9ANPC1HPGDL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7447162 0.76 RAB9A (0.59) RAB9ANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL7438485 0.76 CYP1A2 (0.44) RAB9ANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL7443556 0.76 CYP1A2 (0.47) RAB9ANPC1HPGDL3MBTL1ALDH1A1
SCHEMBL7433684 0.76 CASP1 (0.40) POLB
SCHEMBL7427545 0.76 RAB9A (0.52) RAB9ANPC1HPGDL3MBTL1ALDH1A1

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed