SCHEMBL6960934

SCHEMBL6960934

O=C(N(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7598234 0.88 KCNH2 (0.57) KCNH2CRHBPCRHR2MMP1MMP2
SCHEMBL6962369 0.87 KCNH2 (0.64) KCNH2CRHBPCRHR2MMP1MMP2
SCHEMBL6957942 0.87 KCNH2 (0.64) KCNH2CRHBPCRHR2MMP1MMP2
SCHEMBL6961141 0.84 RIPK1 (0.43) KCNH2RIPK1KMT2AMEN1
SCHEMBL26318726 0.80 KCNH2 (0.48) KCNH2CRHBPCRHR2KMT2ACA12
SCHEMBL6957148 0.78 CRHBP (0.65) KCNH2CRHBPCRHR2MMP1MMP2
SCHEMBL6967315 0.78 KCNH2 (0.58) KCNH2KMT2ALMNAALDH1A1MEN1
SCHEMBL6957179 0.78 KCNH2 (0.58) KCNH2CRHBPCRHR2KMT2ACA12
SCHEMBL6967185 0.78 KCNH2 (0.58) KCNH2CRHBPCRHR2MMP1MMP2
SCHEMBL27371387 0.78 KCNH2 (0.58) KCNH2CRHBPCRHR2KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed