SCHEMBL27723355

SCHEMBL27723355

O=C(O)c1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.76
MAOA P21397 2/20 0.76
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.55
PFKFB3 Q16875 1/20 0.55
MAPT P10636 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL27723295 0.91 KDM1A (0.63) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL27702830 0.91 KDM1A (0.63) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL27702845 0.90 KDM1A (0.65) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL27702843 0.88 KDM1A (0.60) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL27856511 0.86 ALDH1A1 (0.59) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL3555628 0.83 HTR6 (0.65) KDM1AMAOAMEN1KMT2APOLB
SCHEMBL27702848 0.82 RAB9A (0.57) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL8699498 0.81 KDM1A (0.63) KDM1AMAOARAB9AMEN1KMT2A
SCHEMBL2825370 0.81 KMT2A (0.79) MEN1KMT2APOLBPFKFB3MAPT
SCHEMBL17347402 0.80 KDM1A (0.61) KDM1AMAOAMEN1KMT2AMAPT

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
CN-101189210-B Sulfonamide derivatives useful as liver carnitine palmitoyl transferase (L-CPTl) inhibitors HOFFMANN LA ROCHE 2012-06-06 CN disclosed
CN-101189210-A Sulfonamide derivatives useful as liver carnitine palmitoyl transferase (L-CPTl) inhibitors HOFFMANN LA ROCHE (CH) 2008-05-28 CN disclosed