SCHEMBL9540757

SCHEMBL9540757

CCC(=O)N1C/C(=C/N(C)C)C(=O)c2cc(Oc3ccc(Cl)cc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MMP9 P14780 6/20 0.35
MMP2 P08253 5/20 0.35
ADORA3 P0DMS8 1/20 0.35
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR5 Q9H228 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9540761 1.00 F10 (0.35) F10MAOAMAOBMMP9MMP2
SCHEMBL9539213 0.88 ADORA3 (0.41) ADORA3MEN1MAPK1KMT2AALDH1A1
SCHEMBL9539218 0.88 ADORA3 (0.41) ADORA3MEN1MAPK1KMT2AALDH1A1
SCHEMBL9537295 0.86 KMT2A (0.42) F10MAOAMAOBADORA3KMT2A
SCHEMBL9537302 0.86 KMT2A (0.42) F10MAOAMAOBADORA3KMT2A
SCHEMBL9537964 0.85 KDM4E (0.35) ADORA3MEN1POLBMAPK1KMT2A
SCHEMBL9537969 0.85 KDM4E (0.35) ADORA3MEN1POLBMAPK1KMT2A
SCHEMBL9537750 0.81 POLB (0.36) MEN1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL9537756 0.81 POLB (0.36) MEN1POLBKMT2AALDH1A1L3MBTL1
SCHEMBL9539547 0.81 KDM4E (0.35) MAOAMAOBADORA3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed