SCHEMBL31052299

SCHEMBL31052299

Cc1ccc(S(=O)(=O)n2cc(I)c3c(N)nc(Cl)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NOD1 Q9Y239 2/20 0.38
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
CXCL8 P10145 1/20 0.36
GAA P10253 1/20 0.36
NOD2 Q9HC29 1/20 0.36
HTR6 P50406 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
BRD4 O60885 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
SCHEMBL1017371 0.88 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL31052340 0.83 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30349320 0.83 SMN1; SMN2 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25158073 0.83 SMN1; SMN2 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1016690 0.83 YTHDC1 (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL25221204 0.83 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL31052310 0.83 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30407960 0.81 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL18394254 0.81 RAPGEF4 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL30120753 0.80 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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
CN-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed