SCHEMBL9714090

SCHEMBL9714090

COC1=CC(=O)c2c(Sc3cccc(Cl)c3)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
NSD2 O96028 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP2 O95551 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
P4HB P07237 3/20 0.39
PTPN1 P18031 1/20 0.38
RHEB Q15382 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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 0.86 NSD2 (0.59) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9713463 0.83 KDM4E (0.48) IDO1NSD2MAPTKDM4EMAPK1
SCHEMBL9641655 0.82 KDM4E (0.50) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9713823 0.81 IDO1 (0.48) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9713498 0.80 CDC25A (0.47) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9713755 0.76 IDO1 (0.51) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9714027 0.74 CDC25A (0.45) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL30002572 0.74 IDO1 (0.59) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9628632 0.74 IDO1 (0.59) IDO1CDC25ACDC25BNSD2MAPT
SCHEMBL9713893 0.73 IDO1 (0.42) IDO1CDC25ACDC25BNSD2MAPT

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