SCHEMBL11110352

SCHEMBL11110352

COc1cccc(C(=O)Nc2nnn[nH]2)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 3/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
BRD4 O60885 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
CNR2 P34972 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL11111705 0.88 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL14511140 0.87 POLB (0.43) POLBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL11562864 0.87 KLKB1 (0.53) POLBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10879448 0.86 RXFP1 (0.45) POLBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL10879218 0.83 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL11193914 0.81 RAB9A (0.48) POLBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9501827 0.80 POLB (0.40) POLBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL11442680 0.80 MEN1 (0.43) RAB9ANPC1SMN1; SMN2TP53GAA
SCHEMBL11105633 0.79 ALPL (0.63) POLBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11102734 0.79 SMN1; SMN2 (0.45) POLBRAB9ANPC1SMN1; SMN2GAA

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
US-4474792-A N-Tetrazolyl benzamides and anti-allergic use thereof RIKER LABORATORIES, INC. (US) 1984-10-02 US claimed
US-4474792-A N-Tetrazolyl benzamides and anti-allergic use thereof RIKER LABORATORIES, INC. (US) 1984-10-02 US disclosed