SCHEMBL9764874

SCHEMBL9764874

O=C(NO)[N+]([O-])([O-])CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 5/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 2/20 0.35
PTGS2 P35354 2/20 0.35
GPR3 P46089 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MMP12 P39900 2/20 0.33
MMP13 P45452 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33

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
Hydroxyurea SCHEMBL9764818 0.75 MAPT (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764870 0.73 ALDH1A1 (0.38) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19768715 0.73 GPR3 (0.56) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10558243 0.70 MMP12 (0.40) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL11232390 0.69 AKR1B1 (0.53) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25721910 0.69 ALDH1A1 (0.50) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15315656 0.68 GPR3 (0.54) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
Methane SCHEMBL11248449 0.68 AKR1B1 (0.51) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764833 0.68 ALOX5 (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764834 0.68 LMNA (0.47) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed