SCHEMBL7689506

SCHEMBL7689506

Cc1ccn(CCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
HTT P42858 5/20 0.33
LMNA P02545 3/20 0.33
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PABPC1 P11940 1/20 0.33
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GALR3 O60755 2/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL76764 0.81 NPC1 (0.47) MAPTNPC1RAB9AHTTLMNA
SCHEMBL14499206 0.79 HTR2A (0.35) MAPTCA12CA1CA2CA9
SCHEMBL27926693 0.78 NPC1 (0.56) MAPTNPC1RAB9AHTTLMNA
SCHEMBL28249044 0.78 NPC1 (0.56) MAPTNPC1RAB9AHTTLMNA
SCHEMBL17267401 0.76 TBXAS1 (0.46) LMNAKDM4ETSHR
SCHEMBL2555775 0.72 CA12 (0.33) CA12CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL15635272 0.70 NPC1 (0.35) MAPTNPC1RAB9AHTTLMNA
SCHEMBL19335629 0.70 ALDH1A1 (0.44) CA12CA1CA2CA9LMNA
Pyridine SCHEMBL28110865 0.70 TSHR (0.39) MAPTNPC1RAB9AHTTLMNA
Phenazine SCHEMBL28300353 0.70 TLR8 (0.42) MAPTALDH1A1SMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
EP-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP disclosed
US-5994535-A Water soluble texaphyrin metal complex preparation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-11-30 US disclosed
US-5733903-A ANTITUMOR AGENTS WITH DIAMAGNETISM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-03-31 US disclosed
US-5569759-A MAGNETIC RESONANCE IMAGING; TUMOR THERAPY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-29 US disclosed
US-5504205-A MACROMOLECULAR PORPHYRINS; WATER SOLUBILITY, LIPOPHILIC BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-04-02 US disclosed
US-5475104-A Useful in magnetic resonance imaging; detection tumors, cancer cells; transition and lanthanide metals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-12-12 US disclosed
US-5457183-A Radiosensitizers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
US-5451576-A Tumor imaging and treatment by water soluble texaphyrin metal complexes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-19 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO disclosed