SCHEMBL8998822

SCHEMBL8998822

Cn1c(SSc2c(C(=O)c3ccco3)c3ccccc3n2C)c(C(=O)c2ccco2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
EGFR P00533 16/20 1.00
FGFR1 P11362 1/20 0.53
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
F2 P00734 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL24864790 0.80 EGFR (0.67) SRCEGFRMAPTKMT2AF2
SCHEMBL8999220 0.76 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999415 0.75 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998819 0.73 SRC (1.00) SRCEGFRFGFR1
SCHEMBL9165235 0.70 MAPT (0.65) MAPTKMT2ATSHRMEN1NPC1
SCHEMBL1527703 0.69 SRC (1.00) SRCEGFRFGFR1NPC1
SCHEMBL8999473 0.69 SRC (1.00) SRCEGFRFGFR1KMT2AMEN1
SCHEMBL27449630 0.68 EGFR (0.52) SRCEGFRMAPTKMT2AALOX15
SCHEMBL8999146 0.68 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998804 0.66 SRC (1.00) SRCEGFRFGFR1KMT2AMEN1

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-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed