SCHEMBL10340595

SCHEMBL10340595

CCOC(=O)c1cnn(-c2cccc(CC)c2)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 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
SCHEMBL10340687 0.89 HTT (0.57) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340616 0.88 HTT (0.71) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340606 0.87 HTT (0.55) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340627 0.87 HTT (0.55) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340619 0.87 HTT (0.55) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340537 0.87 ALDH1A1 (0.68) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340640 0.83 HTT (0.78) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340692 0.83 HTT (0.64) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340540 0.83 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL10340591 0.82 ALDH1A1 (0.68) HTTALDH1A1SMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177242-B1 POLLEN FORMATION INHIBITING PYRAZOLES ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4775409-A PREVENTING POLLEN FORMATION ELI LILLY AND COMPANY (US) 1988-10-04 US disclosed
US-4666504-A HYBRIDS ELI LILLY AND COMPANY (US) 1987-05-19 US disclosed
EP-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 EP disclosed