SCHEMBL7849324

SCHEMBL7849324

COc1ccc2[nH]c(C)c(C=O)c2c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TSHR P16473 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
SLC2A1 P11166 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
HIF1A Q16665 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL21666479 0.80 ERN1 (0.33) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL7498507 0.78 NQO2 (0.44) ERN1KDM4EMAPTMEN1POLB
SCHEMBL29655578 0.78 SLC2A1 (0.49) ERN1KDM4EMAPTMEN1GAA
SCHEMBL18979888 0.73 ERN1 (0.47) ERN1KDM4EMAPTGAAALDH1A1
SCHEMBL31429079 0.72 SMN1; SMN2 (0.41) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL8818184 0.69 ALDH1A1 (0.41) ERN1KDM4EMAPTMEN1POLB
SCHEMBL30045931 0.69 ALDH1A1 (0.41) ERN1KDM4EMAPTMEN1POLB
SCHEMBL7857032 0.68 KDM4E (0.48) KDM4EMAPTMEN1POLBGAA
SCHEMBL19603077 0.67 ERN1 (0.64) ERN1KDM4EMAPTMEN1POLB
SCHEMBL22902565 0.67 ERN1 (0.42) ERN1MEN1POLBKMT2AALDH1A1

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
WO-2001004130-A1 PHOSPHORAMIDE COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2001-01-18 WO disclosed
WO-1997023456-A1 INDOLOQUINONE DERIVATIVES AS BIOREDUCTIVE AGENTS BRITISH TECHNOLOGY GROUP LTD. (GB) 1997-07-03 WO disclosed