SCHEMBL11409462

SCHEMBL11409462

CNC(=O)CCC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GSTO1 P78417 1/20 0.41
▸ CNR2 P34972 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5503771 0.88 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL5510059 0.88 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL11344140 0.85 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11422126 0.85 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11344914 0.84 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11528664 0.84 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL11357868 0.81 GSTO1 (0.43) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11343142 0.81 GSTO1 (0.53) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11348810 0.80 GSTO1 (0.44) KMT2AALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL11350317 0.80 LMNA (0.57) KMT2AALDH1A1SMN1; SMN2TDP1POLB

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
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 — — US disclosed
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