SCHEMBL7079340

SCHEMBL7079340

N=C(Nc1ccc(CCNCc2c(Cl)cccc2Cl)cc1)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6967375 0.78 NOS3 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6962084 0.77 GRM4 (0.36) NPC1RAB9ASMN1; SMN2CNR1HPGD
SCHEMBL7079343 0.75 NOS3 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6966631 0.75 RAB9A (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2483013 0.73 GAA (0.62) MEN1KMT2ASMN1; SMN2LMNAMAPT
Oxalic Acid SCHEMBL27373636 0.70 RAB9A (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9037983 0.69 CYP1A2 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6961797 0.69 CA12 (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6956565 0.68 CYP1A2 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7132056 0.68 RAB9A (0.61) NPC1RAB9AALDH1A1MEN1KMT2A

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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP 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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed