SCHEMBL9713893

SCHEMBL9713893

COC1=CC(=O)c2c(Sc3cc(C)ccn3)cccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
CDC25A P30304 2/20 0.42
CDC25B P30305 2/20 0.42
NSD2 O96028 3/20 0.39
TDP2 O95551 2/20 0.39
HKDC1 Q2TB90 2/20 0.39
PAX8 Q06710 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.36
MAOA P21397 1/20 0.35
P4HB P07237 2/20 0.34
NOTUM Q6P988 1/20 0.34
PDE4D Q08499 1/20 0.33
GAPDH P04406 1/20 0.33

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
SCHEMBL9714048 0.94 IDO1 (0.37) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL9642418 0.83 NOTUM (0.39) IDO1CDC25ACDC25BNSD2HKDC1
SCHEMBL9643315 0.78 NOTUM (0.35) IDO1CDC25ACDC25BNSD2HKDC1
SCHEMBL9713541 0.75 NSD2 (0.59) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL9713755 0.73 IDO1 (0.51) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL9713823 0.73 IDO1 (0.48) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL9714090 0.73 IDO1 (0.44) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL9713498 0.72 CDC25A (0.47) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL8579585 0.70 CDC25A (0.61) IDO1CDC25ACDC25BNSD2TDP2
SCHEMBL30002656 0.70 CDC25A (0.61) IDO1CDC25ACDC25BNSD2TDP2

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