SCHEMBL7698041

SCHEMBL7698041

O=S(=O)(NCC1CCCCC1)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
HTT P42858 2/20 0.59
MAPK1 P28482 1/20 0.59
GBA1 P04062 1/20 0.58
ATM Q13315 1/20 0.54
SIGMAR1 Q99720 3/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HDAC4 P56524 1/20 0.51
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
STAT3 P40763 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPY5R Q15761 1/20 0.50
CYP19A1 P11511 1/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL31743772 0.95 KMT2A (0.60) KMT2AHTTMAPK1GBA1ATM
SCHEMBL3012277 0.92 GBA1 (0.69) KMT2AHTTMAPK1GBA1ATM
SCHEMBL6624619 0.84 SIGMAR1 (0.57) KMT2AHTTMAPK1ATMSIGMAR1
SCHEMBL14606725 0.84 GBA1 (0.59) KMT2AHTTMAPK1GBA1ATM
SCHEMBL14606676 0.84 GBA1 (0.59) KMT2AHTTMAPK1GBA1ATM
SCHEMBL23048254 0.84 GBA1 (0.55) KMT2AHTTMAPK1GBA1ATM
SCHEMBL16825749 0.84 HTR2C (0.57) KMT2AHTTMAPK1GBA1ATM
SCHEMBL28113177 0.84 KMT2A (0.67) KMT2AHTTGBA1ALDH1A1SMN1; SMN2
SCHEMBL7699722 0.84 KMT2A (0.68) KMT2AGBA1ATMALDH1A1SMN1; SMN2
SCHEMBL8396377 0.83 GBA1 (0.83) KMT2AGBA1ALDH1A1SMN1; SMN2MEN1

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
WO-2002057220-A1 HYDRAZIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-07-25 WO disclosed