SCHEMBL4729030

SCHEMBL4729030

Oc1ccc2cccnc2c1.[Fe]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.96
MEN1 O00255 2/20 0.96
KMT2A Q03164 2/20 0.96
CASP1 P29466 1/20 0.96
CASP7 P55210 1/20 0.96
HTT P42858 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 1/20 0.57
NR4A2 P43354 1/20 0.57
RECQL P46063 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 3/20 0.49
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL115677 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL29455006 0.98 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL475177 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL10445772 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
Bromide SCHEMBL30499298 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL8584630 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL3680114 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL17580296 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL1567458 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7
Hydrochloric Acid SCHEMBL28303269 0.96 ALDH1A1 (0.96) ALDH1A1MEN1KMT2ACASP1CASP7

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-20180017541-A1 SYSTEMS AND METHODS TO DETECT AND MEASURE MATERIALS IN OIL KINARD WILLIAM BRIAN (US) 2018-01-18 US disclosed
WO-2018013473-A1 SYSTEMS AND METHODS TO DETECT AND MEASURE MATERIALS IN OIL KINARD WILLIAM BRIAN (US) 2018-01-18 WO disclosed
WO-2008020260-A2 USE OF SIDEROPHORES IN PREVENTION OF VASCULAR DISEASES, PRODUCTION OF SIDEROPHORES AND QUALIFYING SIDEROPHORE CONTAINING MEAT-PRODUCTS R-KO-N KFT. (HU) 2008-02-21 WO disclosed