SCHEMBL10340586

SCHEMBL10340586

CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.75
ALDH1A1 P00352 9/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 3/20 0.55
TP53 P04637 3/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.47
MCL1 Q07820 1/20 0.47
ADORA1 P30542 1/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL10393454 0.88 HTT (0.57) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340688 0.87 HTT (0.56) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL31117093 0.86 HTT (1.00) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340638 0.86 HTT (1.00) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340603 0.85 HTT (0.78) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340542 0.85 HTT (0.55) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10395052 0.82 ALDH1A1 (0.54) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL2559477 0.81 HTT (0.71) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340616 0.81 HTT (0.71) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL10340538 0.81 HTT (0.51) HTTALDH1A1SMN1; SMN2KMT2APOLB

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