SCHEMBL7599986

SCHEMBL7599986

O=C1OCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
KDM4E B2RXH2 1/20 0.41
FAAH O00519 10/20 0.39
NAAA Q02083 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
KCNN4 O15554 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
SCHEMBL28459084 0.87 PIK3CD (0.39) PIK3CDKDM4EFAAHNAAASMN1; SMN2
SCHEMBL2695924 0.82 PIK3CD (0.54) PIK3CDKDM4EFAAHNAAASMN1; SMN2
SCHEMBL8472458 0.82 PIK3CD (0.42) PIK3CDKDM4EFAAHNAAASMN1; SMN2
SCHEMBL7921220 0.71 ITGB1 (0.37) KMT2AKCNN4
SCHEMBL2190750 0.70 TNKS (0.36) KDM4EFAAHNAAAKMT2AKCNN4
SCHEMBL13594302 0.68 NAAA (0.43) FAAHNAAAKMT2A
SCHEMBL28877645 0.68 NAAA (0.50) FAAHNAAASMN1; SMN2
SCHEMBL24737459 0.68 ALOX5 (0.41) KDM4ESMN1; SMN2KMT2A
SCHEMBL8092347 0.68 HTT (0.41) KDM4ESMN1; SMN2KMT2A
SCHEMBL783215 0.67 PIK3CD (0.64) PIK3CDKDM4ENAAA

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
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
WO-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 WO disclosed
US-6448412-B1 COMBINATORIAL CHEMISTRY LIBRARIES SPHERE BIOSYSTEMS, INC. 2002-09-10 US disclosed
US-6399785-B1 BIOSYNTHESIS; LIBRARY OF COMPOUNDS; DRUGS C-SIXTY, INC. (CA) 2002-06-04 US disclosed
US-6162926-A Multi-substituted fullerenes and methods for their preparation and characterization SPHERE BIOSYSTEMS, INC. (US) 2000-12-19 US disclosed
WO-1996036631-A1 MULTIPLY-SUBSTITUTED FULLERENES AND METHODS FOR THEIR PREPARATION AND CHARACTERIZATION SPHERE BIOSYSTEMS, INC. (US) 1996-11-21 WO disclosed