SCHEMBL7476783

SCHEMBL7476783

COc1ccc(-c2nc(C=O)c[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MPI P34949 1/20 0.45
GFER P55789 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2A6 P11509 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
TNKS O95271 3/20 0.41
PARP1 P09874 3/20 0.41
TNKS2 Q9H2K2 3/20 0.41
GUSB P08236 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL2556342 0.88 GSTP1 (0.46) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL15331918 0.84 ALDH1A1 (0.44) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL15331275 0.83 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL15330106 0.83 ALDH1A3 (0.47) MAPTTP53
SCHEMBL15332174 0.82 ALDH1A1 (0.56) ALDH1A1PARP1TYMPAURKACYP1A2
SCHEMBL8963381 0.81 NISCH (0.42) MAPTALDH1A1KDM4ECYP2A6NPC1
SCHEMBL15330754 0.80 GRK6 (0.41) NPC1RAB9ATNKS2AURKA
SCHEMBL15330739 0.80 KDM4E (0.49) ALDH1A1KDM4EHPGDGAAMPI
Hydrochloric Acid SCHEMBL28564380 0.80 NISCH (0.41) MAPTALDH1A1KDM4ECYP2A6NPC1
SCHEMBL15332789 0.78 KDM4E (0.38) ALDH1A1KDM4EGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396505-A Methods of treating inflammation 维鲁公司 2024-01-12 CN disclosed
CN-115379835-A Methods of treating coronavirus 维鲁公司 2022-11-22 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-0967207-B1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-09-11 EP disclosed
US-6034250-A ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 2000-03-07 US disclosed
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP disclosed