SCHEMBL6912797

SCHEMBL6912797

Cc1ccc([S+]([O-])c2ccc(N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.62
TEAD4 Q15561 1/20 0.48
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 7/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL310582 0.87 MEN1 (0.50) ACHEALDH1A1TDP1MAPTMEN1
SCHEMBL235851 0.87 ACHE (0.50) ACHEALDH1A1TDP1CYP2A6CA12
SCHEMBL4401131 0.87 ACHE (0.50) ACHEALDH1A1TDP1CYP2A6CA12
SCHEMBL28288752 0.81 ACHE (0.38) ACHEALDH1A1TDP1CYP1A2CYP2A6
SCHEMBL3289160 0.80 ACHE (0.42) ACHEALDH1A1TDP1SMN1; SMN2CA1
SCHEMBL4401181 0.80 ACHE (0.42) ACHEALDH1A1TDP1SMN1; SMN2CA1
SCHEMBL25128812 0.80 ALDH1A1 (0.44) ACHEALDH1A1MAPTPOLBMEN1
SCHEMBL8469646 0.79 ACHE (1.00) ACHETEAD4ALDH1A1TDP1MAPT
SCHEMBL11887 0.79
SCHEMBL10505528 0.79 TDP1 (0.52) ACHEALDH1A1TDP1MAPTMEN1

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-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed