SCHEMBL6956249

SCHEMBL6956249

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.60
TSHR P16473 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
CDC25C P30307 2/20 0.46
MLYCD O95822 1/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4901176 0.85 CRHBP (0.50) KCNH2TSHRSIGMAR1
SCHEMBL2479710 0.82 TSHR (0.54) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL4898565 0.80 KCNH2 (0.67) KCNH2
SCHEMBL6961676 0.79 MLYCD (0.47) KCNH2SIGMAR1MLYCD
SCHEMBL13181406 0.79 MLYCD (0.64) MLYCDKMT2A
SCHEMBL3534499 0.78 KCNH2 (0.53) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL992030 0.78 KCNH2 (0.50) KCNH2TSHRSIGMAR1CDC25CMEN1
SCHEMBL6957942 0.78 KCNH2 (0.64) KCNH2SIGMAR1MEN1KMT2ANPC1
SCHEMBL6962369 0.78 KCNH2 (0.64) KCNH2SIGMAR1MEN1KMT2ANPC1
SCHEMBL777298 0.76 KCNH2 (0.60) KCNH2TSHRSIGMAR1CDC25C

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