SCHEMBL11113573

SCHEMBL11113573

COc1ccc(Cl)cc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.62
NPC1 O15118 3/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 1/20 0.58
KLF5 Q13887 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AHR P35869 1/20 0.50

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
SCHEMBL11102734 0.85 SMN1; SMN2 (0.45) KCNMA1NPC1POLBRAB9AKLF5
SCHEMBL11107256 0.85 KCNMA1 (0.46) KCNMA1NPC1POLBRAB9AKLF5
SCHEMBL11108597 0.85 ALDH1A1 (0.56) NPC1POLBRAB9ATDP1ALDH1A1
SCHEMBL11105633 0.83 ALPL (0.63) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL11556922 0.82 KCNMA1 (0.58) KCNMA1MEN1KMT2A
SCHEMBL11111705 0.82 RAB9A (0.57) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11561500 0.81 LRRK2 (0.63) KMT2A
SCHEMBL10885312 0.81 GCK (0.54) KCNMA1NPC1RAB9AALDH1A1MEN1
SCHEMBL12892213 0.80 MEN1 (0.63) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11081640 0.80 NPC1 (0.58) NPC1POLBRAB9AALDH1A1MEN1

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