SCHEMBL8975487

SCHEMBL8975487

COc1ccc(Oc2cccc(C#N)c2C#N)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
GAA P10253 1/20 0.73
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AR P10275 5/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL30360768 0.85 KDM4E (0.54) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL18159867 0.85 POLB (0.60) POLBGAAKDM4EARMAPT
SCHEMBL20511067 0.85 KDM4E (0.54) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL9745662 0.85 SMN1; SMN2 (0.58) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL9745478 0.85 SMN1; SMN2 (0.58) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL9359794 0.85 KDM4E (0.54) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL22169508 0.84 POLB (1.00) POLBGAAARMAPTNPC1
SCHEMBL669346 0.84 SMN1; SMN2 (0.57) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL7121279 0.84 POLB (0.51) POLBGAAKDM4ESMN1; SMN2AR
SCHEMBL29800655 0.84 POLB (0.51) POLBGAAKDM4ESMN1; SMN2AR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597147-A Inhibitors of ubiquitin-specific peptidase 22 (USP 22) and uses thereof for the treatment of diseases and disorders 西北大学 2024-02-23 CN claimed
CN-117597147-A Inhibitors of ubiquitin-specific peptidase 22 (USP 22) and uses thereof for the treatment of diseases and disorders 西北大学 2024-02-23 CN disclosed
EP-0398620-B1 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RES CORP (US) 1996-04-17 EP disclosed
US-5149800-A For natural or synthetic resins, especially polyolefins and polyurethane foams MILLIKEN RESEARCH CORPORATION (US) 1992-09-22 US disclosed
US-5135972-A For polymeric substrates MILLIKEN RESEARCH CORPORATION (US) 1992-08-04 US disclosed
EP-0398620-A2 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RESEARCH CORPORATION (US) 1990-11-22 EP disclosed