SCHEMBL7762840

SCHEMBL7762840

Cc1ccc2sc(C=O)[n+](C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 5/20 0.56
▸ CYP2A6 P11509 1/20 0.45
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ THRB P10828 3/20 0.38
▸ RECQL P46063 3/20 0.38
▸ POLB P06746 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL28755569 0.84 INSR (0.44) INSRCYP2A6MAPTKDM4EALDH1A1
SCHEMBL7767420 0.81 INSR (0.57) INSRCYP2A6MAPTKDM4EALDH1A1
SCHEMBL14434817 0.76 MAPT (0.61) INSRCYP2A6MAPTKDM4EALDH1A1
SCHEMBL4625707 0.75 SNCA (0.50) INSRCYP2A6MAPTKDM4EALDH1A1
Iodide SCHEMBL31063683 0.74 MAPT (0.64) INSRCYP2A6MAPTKDM4EALDH1A1
SCHEMBL14982733 0.72 ADRB2 (0.75) INSRMAPTKDM4EALDH1A1THRB
Iodide SCHEMBL8388688 0.71 INSR (0.97) INSRMAPTPOLBMEN1KMT2A
SCHEMBL14982704 0.70 MAPT (0.45) INSRCYP2A6MAPTKDM4EALDH1A1
SCHEMBL19749248 0.70 INSR (0.49) INSRMAPTKDM4EALDH1A1THRB
SCHEMBL14434749 0.70 INSR (0.76) INSRMAPTPOLBMEN1KMT2A

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
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO claimed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO disclosed
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