SCHEMBL8980607

SCHEMBL8980607

CCc1ccc2c(c1)C(=O)N(CCO)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.33
GABRA1 P14867 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRB2 P47870 2/20 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
SCHEMBL9174068 0.83 MEN1 (0.43) ALDH1A1TSHRMAPTRAB9AATM
SCHEMBL8636633 0.82 MAPT (0.41) ALDH1A1MAPTRAB9AKMT2A
SCHEMBL14468897 0.81 PARP1 (0.43) PARP1ALDH1A1TSHRNPSR1L3MBTL1
SCHEMBL8368757 0.81 KDM4E (0.35) PARP1TSHR
SCHEMBL8980606 0.81 FABP6 (0.41) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8980601 0.81 APP (0.39) ALDH1A1KMT2A
SCHEMBL8640110 0.81 ALDH1A1 (0.40) PARP1ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL8573189 0.81 MAOB (0.40) ALDH1A1NPSR1MAPTPKM
SCHEMBL8575144 0.80 MAPT (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1LMNA
SCHEMBL7249895 0.80 KDM4E (0.40) ALDH1A1TSHRNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed