SCHEMBL11528664

SCHEMBL11528664

O=C(CBr)c1ccc(Cl)c(S(=O)(=O)NCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CNR2 P34972 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GSTO1 P78417 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5510059 0.86 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL5503771 0.86 KMT2A (0.52) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL11409462 0.84 KMT2A (0.46) KMT2AALDH1A1SMN1; SMN2BCL2L1MCL1
SCHEMBL11527071 0.83 ALDH1A1 (0.52) KMT2AALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL11525232 0.82 ALDH1A1 (0.53) KMT2AALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL11635788 0.80 CNR2 (0.52) KMT2AALDH1A1CNR2TDP1LMNA
SCHEMBL11529122 0.79 POLB (0.45) KMT2AALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL11633948 0.78 CNR2 (0.50) KMT2AALDH1A1CNR2MEN1TDP1
SCHEMBL11531125 0.77 LMNA (0.64) KMT2AALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL11595726 0.77 F10 (0.46) KMT2AALDH1A1SMN1; SMN2POLBTDP1

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
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 — — US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
Send feedback