SCHEMBL9360622

SCHEMBL9360622

O=C(c1ncccc1CSc1ccc2cc(O)c(O)cc2c1)c1ncccc1CSc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MPO P05164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
FTO Q9C0B1 2/20 0.36
IGFBP3 P17936 1/20 0.35
DAO P14920 2/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EGLN2 Q96KS0 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
SCHEMBL9360303 0.81 IGFBP3 (0.36) ALDH1A1GAAKDM4EMAPTCYP1A2
SCHEMBL9360635 0.81 BRD4 (0.38) BRD4ALDH1A1GAAKDM4EDAO
SCHEMBL9360323 0.73 DAO (0.56) ALDH1A1KDM4EMAPTCYP1A2DAO
SCHEMBL9360234 0.70 ANPEP (0.35) ALDH1A1GAAKDM4EMAPTDAO
SCHEMBL9364582 0.70 KMT2A (0.35) ALDH1A1GAAKDM4EMAPTDAO
SCHEMBL9364553 0.69 ANPEP (0.43) ALDH1A1GAAKDM4EMAPTLMNA
SCHEMBL6993829 0.68 MAPT (0.49) ALDH1A1GAAKDM4EMAPTCYP1A2
SCHEMBL9360179 0.67 MAOA (0.51) ALDH1A1GAAKDM4EMAPTDAO
SCHEMBL9360229 0.67 DAO (0.54) DAOLMNASTAT3
SCHEMBL9360309 0.67 DAO (0.35) ALDH1A1GAAKDM4EMAPTCYP1A2

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
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed