SCHEMBL8996320

SCHEMBL8996320

COc1cccc2c1C(=O)c1c(OC)cc(-c3nnn[nH]3)cc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
PIM1 P11309 1/20 0.45
ELANE P08246 8/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CTSG P08311 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 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
SCHEMBL8996439 0.84 TTR (0.57) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996347 0.82 TTR (0.43) ELANEMEN1KMT2AALDH1A1MAPT
SCHEMBL9572219 0.78 EGFR (0.42) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL9572222 0.78 EGFR (0.42) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996327 0.77 ALDH1A1 (0.51) ELANEMEN1KMT2AALDH1A1CYP3A4
SCHEMBL8996330 0.76 AMY1A (0.54) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9008524 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL15413502 0.75 BACE1 (0.58) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8947495 0.74 EGFR (0.73) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL3515014 0.73 HTR7 (0.46) ALDH1A1CYP1A2CYP3A4

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-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed