SCHEMBL9713498

SCHEMBL9713498

COC1=CC(=O)c2c(Sc3ccc(F)cc3)cccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.47
CDC25B P30305 2/20 0.47
IDO1 P14902 1/20 0.47
GAPDH P04406 2/20 0.46
MAPT P10636 3/20 0.44
NSD2 O96028 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
P4HB P07237 4/20 0.44
ALDH1A1 P00352 2/20 0.42
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PTPN1 P18031 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP2 O95551 2/20 0.38
HKDC1 Q2TB90 2/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL9713541 0.88 NSD2 (0.59) CDC25ACDC25BIDO1GAPDHMAPT
SCHEMBL9642618 0.81 MAPT (0.53) CDC25ACDC25BGAPDHMAPTNSD2
SCHEMBL9714027 0.81 CDC25A (0.45) CDC25ACDC25BIDO1MAPTNSD2
SCHEMBL9713604 0.80 MAPT (0.48) CDC25ACDC25BGAPDHMAPTNSD2
SCHEMBL9714090 0.80 IDO1 (0.44) CDC25ACDC25BIDO1MAPTNSD2
SCHEMBL9713755 0.78 IDO1 (0.51) CDC25ACDC25BIDO1GAPDHMAPT
SCHEMBL9713823 0.78 IDO1 (0.48) CDC25ACDC25BIDO1GAPDHMAPT
SCHEMBL9627572 0.74 ALDH1A1 (0.71) CDC25ACDC25BIDO1GAPDHMAPT
SCHEMBL30003153 0.74 ALDH1A1 (0.71) CDC25ACDC25BIDO1GAPDHMAPT
SCHEMBL14039802 0.74 MAPT (0.54) CDC25ACDC25BMAPTNSD2KDM4E

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed