SCHEMBL16716751

SCHEMBL16716751

O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cccc(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
ALOX12 P18054 1/20 0.52
POLB P06746 4/20 0.51
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL694249 0.90 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTALOX12
SCHEMBL693838 0.82 ATM (0.61) KMT2AMEN1ALDH1A1MAPTALOX12
SCHEMBL2821027 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL694134 0.79 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1MAPTALOX12
SCHEMBL693480 0.76 OPRM1 (0.49) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL694495 0.75 OPRM1 (0.51) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL3108469 0.73 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL15197206 0.73 OPRM1 (0.47) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL15197199 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL728741 0.72 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTPOLB

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
EP-2502921-B1 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS INC (US) 2015-05-20 EP disclosed