SCHEMBL9764878

SCHEMBL9764878

CNC(=O)N(O)Cc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
GPR3 P46089 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
HTT P42858 2/20 0.36
LIMK1 P53667 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL9764859 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764906 0.85 ALOX5 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764834 0.77 LMNA (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764870 0.75 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL9764837 0.74 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL2397460 0.72 CYP2A6 (0.54)
SCHEMBL9764833 0.72 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764848 0.72 ALOX5 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764820 0.72 ALOX5 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL11232390 0.71 AKR1B1 (0.53) 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 5 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
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed