SCHEMBL7466281

SCHEMBL7466281

NC(=O)c1cccc(N)c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
METAP2 P50579 1/20 0.42
GAA P10253 2/20 0.41
BCAT2 O15382 1/20 0.41
PARP1 P09874 4/20 0.40
IKBKB O14920 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PDPK1 O15530 1/20 0.40
CFTR P13569 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PLK4 O00444 1/20 0.38
CHEK1 O14757 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
SCHEMBL19972002 0.81 MMP2 (0.44) MMP2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL652047 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL31493861 0.78 KDM4E (0.61) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL12635358 0.78 KDM4E (0.61) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL998313 0.77 MMP2 (0.48) MMP2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL21296300 0.77 METAP2 (0.50) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL30213820 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL18297631 0.77 CES2 (0.47) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL4523553 0.77 MYC (0.48) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL28415609 0.77 KDM4E (0.43) ALDH1A1KDM4EMAPTHSD17B10HPGD

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-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed