SCHEMBL11589591

SCHEMBL11589591

O=c1ccc(O)nn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 1/20 0.51
HPN P05981 1/20 0.50
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
SCN2A Q99250 1/20 0.48
MAPK14 Q16539 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 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
SCHEMBL4720647 0.81 KEAP1 (0.55) ABHD16AHPNRAB9AMAPTNPC1
SCHEMBL13219368 0.77 ALDH1A1 (0.58) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL29151107 0.77 MAPT (0.53) ABHD16AHPNRAB9AMAPTNPC1
SCHEMBL30745168 0.77 MAPT (0.53) ABHD16AHPNRAB9AMAPTNPC1
SCHEMBL11441836 0.75 SMN1; SMN2 (0.55) ABHD16AHPNRAB9AMAPTNPC1
SCHEMBL4724761 0.74 KEAP1 (0.56) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL4722682 0.74 KEAP1 (0.59) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL11865882 0.73 MAPT (0.47) ABHD16AHPNRAB9AMAPTNPC1
SCHEMBL4722872 0.73 KEAP1 (0.60) ABHD16ARAB9AMAPTNPC1HPGD
SCHEMBL11634306 0.72 SMN1; SMN2 (0.52) ABHD16AHPNRAB9AMAPTNPC1

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
US-4112081-A INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed