SCHEMBL5138652

SCHEMBL5138652

CC1=C(c2ccccc2)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.58
CDC25A P30304 2/20 0.58
FGFR1 P11362 4/20 0.55
FGFR2 P21802 4/20 0.55
FGFR4 P22455 4/20 0.55
FGFR3 P22607 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MITF O75030 1/20 0.55
HTT P42858 1/20 0.55
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
P2RX7 Q99572 1/20 0.52
SRC P12931 2/20 0.52
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52
LMNA P02545 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52

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
SCHEMBL9695242 0.91 MAPT (0.61) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL15730042 0.83 MAPT (0.61) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL20121190 0.81 PDE4B (0.54) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL7258464 0.81 PDE4B (0.54) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL10700253 0.81 CDC25A (0.45) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL1556617 0.81 CDC25B (0.60) CDC25BCDC25AMAPTALDH1A1NPSR1
SCHEMBL740371 0.79 FGFR1 (0.61) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL17969766 0.79 CDC25B (0.58) CDC25BCDC25AMAPTALDH1A1NPSR1
SCHEMBL5497788 0.79 MAPT (0.65) CDC25BCDC25AFGFR1FGFR2FGFR4
SCHEMBL29941466 0.78 CDC25B (0.68) CDC25BCDC25AMAPTALDH1A1NPSR1

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
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO disclosed
WO-2008037604-A1 NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2008-04-03 WO disclosed
US-4151182-A CATALYTIC OXIDATION FROM INDANS OR DIPHENYLMETHANE DERIVATIVES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed