SCHEMBL10340644

SCHEMBL10340644

CCOC(=O)c1cnn(-c2cccc(OC)c2)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
ALDH1A1 P00352 10/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CSNK1D P48730 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 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
SCHEMBL6314704 0.88 RAB9A (0.59) HTTALDH1A1HPGDSMN1; SMN2NPBWR1
SCHEMBL1353689 0.86 HTT (0.77) HTTALDH1A1HPGDSMN1; SMN2ALOX15
SCHEMBL31117075 0.86 HTT (0.77) HTTALDH1A1HPGDSMN1; SMN2ALOX15
SCHEMBL5069717 0.85 ALDH1A1 (0.71) HTTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL10340619 0.84 HTT (0.55) HTTALDH1A1HPGDSMN1; SMN2NPBWR1
SCHEMBL10366513 0.81 NPC1 (0.53) ALDH1A1SMN1; SMN2NPBWR1MCHR1RAB9A
SCHEMBL18490171 0.81 ALDH1A1 (0.45) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL18987027 0.80 HTT (0.56) HTTALDH1A1HPGDSMN1; SMN2NPBWR1
SCHEMBL18706592 0.78 HTT (0.59) HTTALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1195700 0.78 ALDH1A1 (0.57) HTTALDH1A1HPGDSMN1; SMN2HSD17B10

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
CN-1016398-B The pollen that contains pyrazole derivatives generates composite inhibiting ELLI LILLY & CO (US) 1992-04-29 CN disclosed
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