SCHEMBL6423341

SCHEMBL6423341

CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CCOCC3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
SMO Q99835 2/20 0.45
F2 P00734 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
ADORA1 P30542 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8555269 0.83 HDAC6 (0.54) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL743782 0.83 HDAC6 (0.54) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL2370518 0.83 ESR2 (0.54) USP2SMN1; SMN2HDAC6ESR2NR1H2
SCHEMBL6421478 0.82 NR1H2 (0.54) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL978284 0.82 HDAC6 (0.59) SMN1; SMN2HDAC6ESR2NR1H2BRD4
SCHEMBL1174513 0.81 HDAC6 (0.72) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL6422061 0.81 NR1H2 (0.52) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL8558892 0.80 NR1H2 (0.51) HDAC6ESR2NR1H2BRD4CREBBP
SCHEMBL1174301 0.80 ADORA1 (0.57) SMN1; SMN2HDAC6ESR2NR1H2BRD4
SCHEMBL3079148 0.79 HIF1A (0.48) USP2SMN1; SMN2ESR2BRD4CREBBP

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed