SCHEMBL13089904

SCHEMBL13089904

N#Cc1ccc(Oc2cc(N)cc(Cl)c2)c(S(=O)(=O)N2CCC(N3CCCC3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 4/20 0.42
ALK Q9UM73 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR1 P32246 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBXA2R P21731 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
VEGFA P15692 1/20 0.37
EPAS1 Q99814 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2826187 0.93 ALDH1A1 (0.46) ALDH1A1KMT2AHSD11B1ALKKDM4E
SCHEMBL2824109 0.88 HSD11B1 (0.47) ALDH1A1KMT2AHSD11B1ALKKDM4E
SCHEMBL2452739 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL4369091 0.83 TRPV4 (0.47) ALDH1A1KMT2AHSD11B1TBXA2RVEGFA
SCHEMBL2379501 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL13679842 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL13413623 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL2822547 0.81 NPC1 (0.56) ALDH1A1KMT2AHSD11B1POLBCCR1
SCHEMBL13448624 0.80 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EPOLBHPGD
SCHEMBL2819983 0.79 TRPV4 (0.40) ALDH1A1KMT2ATBXA2RVEGFAEPAS1

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-1849469-B1 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2010-10-27 EP disclosed