SCHEMBL7956461

SCHEMBL7956461

O=S(=O)(NCc1ccc(N2CCN(c3ccncc3)CC2)cc1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 5/20 0.52
HTT P42858 4/20 0.52
POLB P06746 2/20 0.50
CYP19A1 P11511 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.47
NR2F2 P24468 1/20 0.47

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
SCHEMBL7956244 0.84 CYP19A1 (0.65) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL7958990 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL27083321 0.84 LMNA (0.61) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL3923271 0.84 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2LMNAHTTCYP19A1
SCHEMBL27083314 0.84 POLB (0.61) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL27083342 0.83 LMNA (0.59) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL7956458 0.82 POLB (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL27083364 0.82 HTT (0.61) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL7956456 0.81 RAB9A (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL27083383 0.80 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHTT

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