SCHEMBL7902646

SCHEMBL7902646

[c]1c(-c2nc3ccccc3s2)ccc2onnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.40
▸ NPC1 O15118 10/20 0.40
▸ KDM4E B2RXH2 10/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ APP P05067 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ UBE2T Q9NPD8 1/20 0.39

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
SCHEMBL9948833 0.75 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL706413 0.73 ILK (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7410420 0.72 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15987793 0.71 KDM4E (0.36) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL29117998 0.68 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5323085 0.68 RAB9A (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.68 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL547704 0.67 NPC1 (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4151986 0.67 — —
Hydrogen Sulfide SCHEMBL16859912 0.66 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140085-A1 AZABICYCLOALKANES AS CCR5 MODULATORS Pfizer Limited (GB) 2001-10-10 — — EP disclosed
WO-2000038680-A1 AZABICYCLOALKANES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2000-07-06 — — WO disclosed
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