SCHEMBL14747441

SCHEMBL14747441

CC=Cc1sc2cc(S(=O)(=O)N3CCCCC3)ccc2[n+]1CCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ VDR P11473 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ NPC1 O15118 2/20 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
SCHEMBL1105741 0.86 ALDH1A1 (0.49) ALDH1A1HPGDMAPTPOLBVDR
SCHEMBL1105774 0.82 INSR (0.53) ALDH1A1HPGDMAPTPOLBVDR
SCHEMBL14706829 0.81 LMNA (0.43) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL1105748 0.81 LMNA (0.43) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL18655696 0.77 ALDH1A1 (0.48) ALDH1A1HPGDMAPTPOLBLMNA
SCHEMBL1105643 0.75 PTPN1 (0.44) MAPTLMNATP53MEN1KMT2A
SCHEMBL14747443 0.74 PTPN1 (0.43) ALDH1A1MAPTLMNATP53HTT
SCHEMBL1105706 0.74 PTPN1 (0.42) MAPT
SCHEMBL14708621 0.72 INSR (0.51) ALDH1A1POLBLMNATP53HTT
SCHEMBL14823540 0.70 MAPT (0.62) ALDH1A1HPGDMAPTPOLBLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
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