SCHEMBL20534773

SCHEMBL20534773

C=Cc1cc(I)n(S(=O)(=O)c2ccc(C)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 4/20 0.34
KDM2B Q8NHM5 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL20534977 0.79 RAPGEF4 (0.48) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL20535401 0.75 RAPGEF4 (0.44) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL7034798 0.66 ALDH1A1 (0.44) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL18952089 0.65 RAPGEF4 (0.48) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL28955829 0.65 CA1 (0.46) RAPGEF4GAAALDH1A1TSHRHTT
SCHEMBL6581959 0.65 SMN1; SMN2 (0.79) SMN1; SMN2LMNAGAAALDH1A1HTT
SCHEMBL18952078 0.64 RAPGEF4 (0.65) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL4396834 0.63 ALDH1A1 (0.47) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL6112926 0.63 ALDH1A1 (0.47) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL8327245 0.63 HTT (0.80) SMN1; SMN2LMNAGAAALDH1A1TSHR

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
EP-3609896-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2020-02-19 EP disclosed
WO-2018188047-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2018-10-18 WO disclosed