SCHEMBL8630372

SCHEMBL8630372

COC(=O)Cc1cccc2c1Sc1c(/C=N\O)cccc1N2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.34
EGFR P00533 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8630374 1.00 USP2 (0.34) USP2EGFRALDH1A1KDM4ELMNA
SCHEMBL8635781 0.87 TLR2 (0.35) EGFRALDH1A1KDM4ELMNAKDM1A
Hydrochloric Acid SCHEMBL8629084 0.80 CFD (0.38) EGFRALDH1A1KDM4EKDM1APOLB
SCHEMBL8632827 0.77 RIPK1 (0.36) ALDH1A1KDM4EKDM1AKMT2AMAPT
SCHEMBL9016430 0.76 USP2 (0.47) USP2EGFRALDH1A1KDM4ELMNA
SCHEMBL8630378 0.75 SRC (0.34) USP2
SCHEMBL7392981 0.65 KCNA5 (0.41) POLB
SCHEMBL5026445 0.65 KDM4E (0.42) EGFRALDH1A1KDM4ELMNAPOLB
SCHEMBL31455672 0.63 KDM4E (0.40) EGFRALDH1A1KDM4ELMNAMEN1
SCHEMBL4893812 0.63 ALDH1A1 (0.44) EGFRALDH1A1KDM4ELMNAPOLB

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-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed