SCHEMBL4446655

SCHEMBL4446655

Cc1ccc2nc(-c3ccc(NN=C(C#N)C#N)cc3)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.63
▸ APP P05067 6/20 0.63
▸ SNCA P37840 1/20 0.63
▸ KDM4E B2RXH2 10/20 0.58
▸ NPC1 O15118 10/20 0.58
▸ RAB9A P51151 10/20 0.58
▸ ALDH1A1 P00352 9/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ SENP6 Q9GZR1 1/20 0.58
▸ TP53 P04637 1/20 0.56
▸ GAA P10253 4/20 0.55
▸ GLA P06280 3/20 0.55
▸ HPGD P15428 7/20 0.54
▸ RORC P51449 1/20 0.54

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
SCHEMBL20042570 0.85 MAPT (0.57) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24706375 0.83 APP (0.62) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24706377 0.83 SMN1; SMN2 (0.51) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24706360 0.83 APP (0.61) MAPTAPPSNCATP53GAA
SCHEMBL9868410 0.82 MAPT (0.62) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24706024 0.82 APP (0.48) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24707368 0.82 APP (0.44) MAPTAPPSNCAKDM4ENPC1
SCHEMBL24705959 0.81 DYRK1A (0.53) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL24426106 0.79 NPC1 (0.58) MAPTAPPSNCAKDM4ENPC1
SCHEMBL2628262 0.78 APP (1.00) MAPTAPPSNCAKDM4ENPC1

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
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 — — US claimed
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 — — US disclosed
US-7635722-B1 Chemical induced intracellular hyperthermia Saint Jude Pharmaceuticals, Inc. (US) 2009-12-22 — — US disclosed
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 — — EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 — — US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 — — US disclosed
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