SCHEMBL4752983

SCHEMBL4752983

O=C1[N]c2c(F)cccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.37
HTR5A P47898 1/20 0.35
PBRM1 Q86U86 3/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NPC1 O15118 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AR P10275 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
DAO P14920 1/20 0.33
DDO Q99489 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
SCHEMBL6587215 0.76 PLAUR (0.31)
SCHEMBL4750499 0.76 CES1 (0.44) PARP1HTR5APBRM1LRRK2DAO
SCHEMBL6230711 0.76 MEN1 (0.37) PARP1CA9CA12CA1CA2
SCHEMBL6120237 0.76 PARP1 (0.33) PARP1
SCHEMBL4752467 0.76 CES1 (0.41) PARP1AR
SCHEMBL5132320 0.72 TDP1 (0.44) PARP1NOS3NOS1NOS2CA9
SCHEMBL3159742 0.72 TDP1 (0.44) PARP1NOS3NOS1NOS2CA9
SCHEMBL3741907 0.68
SCHEMBL4750823 0.68 CA9 (0.40) PARP1HTR5AARDDB1CRBN
SCHEMBL20505096 0.66 MAPT (0.44) NPC1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed