SCHEMBL11093099

SCHEMBL11093099

NC1(NC(=O)O)N=c2ccccc2=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
MAPT P10636 4/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PARP1 P09874 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31

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
SCHEMBL966475 0.76 SMN1; SMN2 (0.34) MAPTTSHRHSD17B10L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL11406360 0.74 ALDH1A1 (0.33) MAPTTSHRHSD17B10L3MBTL1RAB9A
SCHEMBL15136482 0.72 MAPT (0.36) MAPTTSHRCYP2C19CYP3A4TDP1
SCHEMBL11621449 0.72 HSD17B10 (0.34) MAPTTSHRCYP2C19POLBHSD17B10
SCHEMBL10717219 0.72 SMN1; SMN2 (0.35) MAPTTSHRCYP3A4TDP1POLB
SCHEMBL17784279 0.72 NPSR1 (0.37) MAPTTSHRCYP2C19CYP3A4TDP1
Phosphoric Acid SCHEMBL11599912 0.71 SMN1; SMN2 (0.33) MAPTCYP2C19CYP3A4TDP1POLB
SCHEMBL27450762 0.69 KMT2A (0.34) MAPTCYP2C19CYP3A4TDP1POLB
SCHEMBL10400693 0.68 ALDH1A1 (0.37) TSHRCYP2C19CYP3A4POLBSMN1; SMN2
SCHEMBL8006935 0.65 GAA (0.34) MAPTTSHRCYP3A4TDP1POLB

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-0057362-B1 DIBENZOFURANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed
EP-0057362-A1 Dibenzofurane derivatives, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1982-08-11 EP disclosed