SCHEMBL7760912

SCHEMBL7760912

O=C(c1ccccc1SCc1ccccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
HTT P42858 3/20 0.70
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK14 Q16539 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL6293769 0.90 KMT2A (0.61) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL7756917 0.88 KMT2A (0.72) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL10789644 0.88 LMNA (0.62) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL7760010 0.85 KMT2A (0.76) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL7130439 0.84 LMNA (0.72) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL23269308 0.84 HTT (0.74) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL3455654 0.83 HTT (1.00) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL20964612 0.82 KMT2A (0.57) MEN1KMT2AHTTLMNAALDH1A1
SCHEMBL20964592 0.80 KDM4E (0.50) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL6291059 0.80 ALDH1A1 (0.55) MEN1KMT2AHTTLMNAALDH1A1

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
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed