SCHEMBL4703237

SCHEMBL4703237

Cc1ncccc1C(=O)NCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
P2RX7 Q99572 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNA5 P22460 5/20 0.51
KCNA3 P22001 1/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL10352493 0.81 POLB (0.56) POLBALDH1A1TDP1SMN1; SMN2RAB9A
SCHEMBL13947349 0.79 RAB9A (0.65) POLBALDH1A1GAALMNASMN1; SMN2
SCHEMBL1694984 0.79 RAB9A (0.62) ALDH1A1LMNATDP1SMN1; SMN2RAB9A
SCHEMBL6358755 0.78 HTT (0.66) P2RX7ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7601765 0.78 LMNA (0.70) ALDH1A1GAALMNATDP1SMN1; SMN2
SCHEMBL4242979 0.78 KCNA5 (0.54) POLBALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL8722345 0.78 KMT2A (0.65) POLBALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL483578 0.78 RAB9A (0.74) POLBALDH1A1GAALMNATDP1
SCHEMBL6369514 0.77 KCNA5 (0.58) POLBALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL5418289 0.77 P2RX7 (0.70) P2RX7GAALMNASMN1; SMN2KMT2A

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
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP claimed