SCHEMBL7436751

SCHEMBL7436751

O=C(O)CC(NC(=S)CCCc1ccccc1)C(=O)Cn1nnc(-c2ccccc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 2/20 0.41
USP2 O75604 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.86 HPGD (0.48) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7434829 0.82 P2RX7 (0.40) SMN1; SMN2CASP3LMNACASP1
SCHEMBL7443101 0.81 CASP1 (0.53) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7439311 0.78 CASP1 (0.48) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7446400 0.76 RAB9A (0.49) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7436443 0.73 CASP1 (0.46) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7429767 0.73 NPC1 (0.52) RAB9AHPGDNPC1L3MBTL1MAPT
SCHEMBL7426313 0.72 CYP1A2 (0.53) CASP1
SCHEMBL7431720 0.72 CASP1 (0.55) TP53ALDH1A1SMN1; SMN2CASP3LMNA
SCHEMBL7434617 0.72 CASP3 (0.49) TP53CASP3CASP1

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 claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed