SCHEMBL8999038

SCHEMBL8999038

COC(=O)c1cccc(NC(=O)c2c(SSc3c(C(=O)Nc4cccc(C(=O)OC)c4)c4ccccc4n3C)n(C)c3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 1.00
EGFR P00533 12/20 0.80
FGFR1 P11362 1/20 0.70
RAB9A P51151 1/20 0.56
CREBBP Q92793 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL8999067 0.89 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999420 0.87 SRC (1.00) SRCEGFRFGFR1
SCHEMBL1527703 0.83 SRC (1.00) SRCEGFRFGFR1ALDH1A1
SCHEMBL8999138 0.78 SRC (1.00) SRCEGFRFGFR1ALDH1A1
SCHEMBL8998829 0.78 SRC (1.00) SRCEGFRFGFR1ALDH1A1
SCHEMBL8998945 0.76 SRC (1.00) SRCEGFRFGFR1RAB9A
SCHEMBL8998915 0.76 SRC (0.81) SRCEGFRFGFR1ALDH1A1
SCHEMBL8999317 0.76 SRC (0.75) SRCEGFRFGFR1ALDH1A1
SCHEMBL9157458 0.76 CREBBP (0.76) SRCRAB9ACREBBPALDH1A1TSHR
SCHEMBL677770 0.73 RAB9A (1.00) RAB9AALDH1A1

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 1 patent. 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