SCHEMBL31084658

SCHEMBL31084658

Nc1cccc(-c2csc(N3CCN(CCO)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
RAD52 P43351 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
AR P10275 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL25297035 1.00 LMNA (0.51) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL25251305 0.84 ALDH1A1 (0.56) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL31084664 0.84 ALDH1A1 (0.56) LMNAMAPTALDH1A1HSD17B10HPGD
SCHEMBL2222158 0.76 PTPN1 (0.46) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL4714944 0.76 CTSL (0.63) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL2555965 0.76 SMN1; SMN2 (0.78) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL17266305 0.75 LMNA (0.67) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL18674656 0.73 LMNA (0.64) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL18674606 0.73 LMNA (0.68) LMNANPSR1MAPTALDH1A1HSD17B10
SCHEMBL14121425 0.73 SMN1; SMN2 (0.59) LMNANPSR1MAPTALDH1A1HSD17B10

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-118574812-A Benzenesulfonamide thiazole compounds and their use for the treatment of cancer 国家医疗保健研究所 2024-08-30 CN disclosed