SCHEMBL11348188

SCHEMBL11348188

Cc1ccc(C(=O)CCC(=O)O)cc1S(=O)(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP5 P45974 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NR4A2 P43354 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.42
NSD2 O96028 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL11343003 0.85 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL2875550 0.83 CA1 (0.50) KMT2AALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL11344181 0.82 KMT2A (0.44) KMT2AALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL30735778 0.80 SMN1; SMN2 (0.58) KMT2AHSD17B10SMN1; SMN2PKMTSHR
SCHEMBL940404 0.80 SMN1; SMN2 (0.58) KMT2AHSD17B10SMN1; SMN2PKMTSHR
SCHEMBL5081102 0.79 KMT2A (0.63) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL10598079 0.78 KMT2A (0.58) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL11886837 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2L3MBTL1NSD2ESR1
SCHEMBL9548071 0.77 PTGER4 (0.45) SMN1; SMN2L3MBTL1LMNARAB9ANSD2
SCHEMBL11631620 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1CYP1A2CYP2C19

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-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed