SCHEMBL9764906

SCHEMBL9764906

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
GPR3 P46089 1/20 0.40
CYP1A2 P05177 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL9764878 0.85 ALDH1A1 (0.39) ALOX5ALDH1A1HPGDMAPTRAB9A
Ammonia Solution, Strong SCHEMBL9764837 0.85 ALDH1A1 (0.39) ALOX5ALDH1A1HPGDMAPTRAB9A
SCHEMBL9764859 0.83 ALDH1A1 (0.39) ALOX5ALDH1A1HPGDMAPTRAB9A
SCHEMBL9764833 0.75 ALOX5 (0.43) ALOX5PTGS2ALDH1A1HPGDMAPT
SCHEMBL9764834 0.75 LMNA (0.47) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL9764820 0.75 ALOX5 (0.45) ALOX5ALDH1A1HPGDMAPTRAB9A
SCHEMBL11232390 0.74 AKR1B1 (0.53) PTGS1ALDH1A1HPGDMAPTRAB9A
SCHEMBL24298892 0.74 ALDH1A1 (0.44) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL19429003 0.74 ALDH1A1 (0.44) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL9764870 0.73 ALDH1A1 (0.38) ALOX5PTGS2ALDH1A1HPGDMAPT

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