SCHEMBL7007267

SCHEMBL7007267

CC(C)OC(=NC#N)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL7969659 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ARAB9AHTT
SCHEMBL9528709 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9528711 0.83 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL7972359 0.81 ALDH1A1 (0.35) ALDH1A1KMT2ASMN1; SMN2TP53CYP3A4
SCHEMBL9531042 0.79 L3MBTL1 (0.43) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9531037 0.79 L3MBTL1 (0.43) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL2088416 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APOLBAPP
SCHEMBL6202864 0.74 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ARAB9AHTT
SCHEMBL19432757 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ARAB9AHTT
SCHEMBL7969153 0.72 KDM4E (0.40) ALDH1A1MAPTKMT2ARAB9AHTT

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
EP-0915869-B1 NOVEL TRICYCLIC N-CYANOIMINES USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2003-05-14 EP disclosed
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
US-5925648-A CELLULAR ANTIGROWTH AGENT SCHERING CORPORATION (US) 1999-07-20 US disclosed
EP-0915869-A1 NOVEL TRICYCLIC N-CYANOIMINES USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-05-19 EP disclosed
WO-1998004545-A1 NOVEL TRICYCLIC N-CYANOIMINES USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-02-05 WO disclosed
US-5691366-A UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5495023-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
EP-0612315-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
WO-1993010097-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed