SCHEMBL9084641

SCHEMBL9084641

c1csc(Sc2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
FBP1 P09467 1/20 0.45
GAA P10253 1/20 0.41
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PTGER3 P43115 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
G6PD P11413 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL31351864 0.79 FBP1 (0.52) ALDH1A1RAB9AHPGDNPC1FBP1
SCHEMBL588852 0.77 FBP1 (0.54) ALDH1A1HPGDFBP1SMN1; SMN2KDM4E
SCHEMBL30832956 0.76 LMNA (0.57) ALDH1A1MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL761802 0.76 LMNA (0.57) ALDH1A1MAP2K2MAP2K1HAO1SMN1; SMN2
SCHEMBL11729689 0.76 KCNH2 (0.46) ALDH1A1NPC1FBP1SMN1; SMN2PDE7A
SCHEMBL9724099 0.76 PDE7A (0.44) RAB9ANPC1FBP1HAO1SMN1; SMN2
Hydrogen Sulfide SCHEMBL2786811 0.75 FBP1 (0.52) ALDH1A1HPGDFBP1SMN1; SMN2KDM4E
SCHEMBL2432241 0.73 FBP1 (0.68) ALDH1A1RAB9AHPGDNPC1FBP1
SCHEMBL11401871 0.73 SIRT2 (0.43) ALDH1A1RAB9AHPGDNPC1SIRT2
SCHEMBL6772507 0.72 FBP1 (0.48) ALDH1A1RAB9AHPGDNPC1FBP1

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
US-5484805-A LIPOXYGENASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-01-16 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
US-5359063-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-10-25 US disclosed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed