SCHEMBL6536221

SCHEMBL6536221

Cc1ccc(-c2[c]c(-c3ccccc3)nn2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SLC2A1 P11166 1/20 0.36
ALDH1A3 P47895 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
SCHEMBL1492646 0.77 MAPT (0.46) MAPTNR1H2NR1H3NPC1RAB9A
SCHEMBL18148677 0.77 MAPT (0.46) MAPTNR1H2NR1H3NPC1RAB9A
SCHEMBL7412470 0.66 ACHE (0.62) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL22079642 0.66 ACHE (0.62) MAPTNPC1RAB9ASMN1; SMN2TDP1
Tannin Pyrogallol SCHEMBL1419994 0.66 ACHE (0.62) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL587 0.66 ACHE (0.62) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL11700848 0.65 MEN1 (0.47) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14081499 0.64 ESRRA (0.52) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL14081503 0.64 ESRRA (0.52) MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL28655309 0.64 NPC1 (0.42) MAPTNR1H2NR1H3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-0754042-A4 TREATMENT OF ATHEROSCLEROSIS WITH ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES MERCK & CO INC (US) 2004-06-23 EP disclosed
EP-0754042-A1 TREATMENT OF ATHEROSCLEROSIS WITH ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES MERCK & CO. INC. (US) 1997-01-22 EP disclosed