SCHEMBL8948586

SCHEMBL8948586

CC1(C)Oc2c(N)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.40
ADORA2A P29274 3/20 0.36
PTPRC P08575 1/20 0.36
PARP1 P09874 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
RGS12 O14924 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL13742725 0.79 CA1 (0.42) TYMSPARP1MEN1KMT2ACYP3A4
SCHEMBL8652048 0.78 TYMS (0.40) TYMSMAPTTDP1CA1CA2
SCHEMBL5080247 0.78 CA1 (0.42) TYMSPARP1MEN1USP2KMT2A
SCHEMBL8948742 0.78 ALDH1A1 (0.33) ADORA2ACYP3A4NPSR1TDP1CD44
SCHEMBL18089744 0.78 ADORA2A (0.36) ADORA2APTPRCPARP1MEN1USP2
SCHEMBL8948488 0.76 PARP1 (0.38) ADORA2APTPRCPARP1MEN1USP2
SCHEMBL8654461 0.75 TYMS (0.38) TYMS
SCHEMBL10638208 0.75 CA1 (0.46) TYMSMEN1USP2KMT2ACYP3A4
SCHEMBL22851407 0.73 GRK6 (0.41) TYMSADORA2APTPRCPARP1MEN1
SCHEMBL8948584 0.73 CA1 (0.50) PTPRCMEN1KMT2ACYP3A4CYP1A2

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed