SCHEMBL7956464

SCHEMBL7956464

O=S(=O)(NCc1cc(Br)ccc1N1CCN(c2ccncc2)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7956458 0.87 POLB (0.51) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL7958994 0.85 GFER (0.50) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL7956246 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKMT2AMEN1CYP1A2
SCHEMBL7958300 0.78 KMT2A (0.53) SMN1; SMN2LMNAKMT2AMEN1CYP1A2
SCHEMBL7947622 0.77 MAPT (0.50) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7956461 0.76 ALDH1A1 (0.54) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL7958986 0.76 HTR7 (0.51) SMN1; SMN2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL7956239 0.76 CYP19A1 (0.46) SMN1; SMN2LMNAKMT2AMEN1RAB9A
SCHEMBL7956809 0.72 SETDB1 (0.53) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL14355762 0.69 HTR6 (0.49) POLBKMT2AMEN1MAPT

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed