SCHEMBL8312119

SCHEMBL8312119

C1=C(c2ncccn2)CC(Cc2ccccc2)NC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
GBA1 P04062 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
SCHEMBL6969006 0.86 ADORA2A (0.41) POLBKMT2ANPC1ALDH1A1RAB9A
SCHEMBL5265951 0.81 POLB (0.44) POLBKMT2AMEN1
SCHEMBL5543765 0.75 POLB (0.39) POLBKMT2AMEN1NOS1NOS2
SCHEMBL7560334 0.75 POLB (0.39) POLBKMT2AMEN1
SCHEMBL6961333 0.75 POLB (0.39) POLBKMT2AMEN1
SCHEMBL7444323 0.75 POLB (0.41) POLBKMT2ANPC1ALDH1A1RAB9A
SCHEMBL6683579 0.73 POLB (0.37) POLBKMT2AMEN1
SCHEMBL8368017 0.73 SLC6A3 (0.37) POLBKMT2AALDH1A1MEN1
SCHEMBL10374921 0.73 HCRTR1 (0.37)
SCHEMBL7561336 0.72 MEN1 (0.41) KMT2AALDH1A1MEN1

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-0925288-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-06-30 EP disclosed
WO-1999003847-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-01-28 WO disclosed