SCHEMBL20535401

SCHEMBL20535401

C=Cc1ccn(S(=O)(=O)c2ccc(C)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.40
EPHX2 P34913 5/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
GFER P55789 1/20 0.38
KDM2B Q8NHM5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL20535101 0.78 RAPGEF4 (0.47) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL29065515 0.78 RAPGEF4 (0.47) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL20534773 0.75 RAPGEF4 (0.45) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL28726287 0.70 ALDH1A1 (0.42) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL7034798 0.68 ALDH1A1 (0.44) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL6581959 0.66 SMN1; SMN2 (0.79) SMN1; SMN2LMNAGAAALDH1A1EPHX2
SCHEMBL28510674 0.66 HTT (0.38) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL7216575 0.66 CA1 (0.49) RAPGEF4SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4396834 0.65 ALDH1A1 (0.47) RAPGEF4SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL645578 0.65 TP53 (0.39) SMN1; SMN2LMNAALDH1A1MAPTKMT2A

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