SCHEMBL9764870

SCHEMBL9764870

O=C(NO)N(O)CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR3 P46089 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS2 P35354 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
ALOX5 P09917 3/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL9764833 0.84 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL9764837 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764820 0.81 ALOX5 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764817 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764853 0.77 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10559630 0.77 ALOX5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764821 0.77 KMT2A (0.45) RAB9ASMN1; SMN2CYP1A2LMNAHTT
Hydroxyurea SCHEMBL9764818 0.76 MAPT (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764866 0.76 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764834 0.76 LMNA (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; 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