SCHEMBL7130248

SCHEMBL7130248

O=S(=O)(NCC(c1ccccc1)n1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 7/20 0.60
CYP27B1 O15528 2/20 0.59
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
XBP1 P17861 1/20 0.58
ALDH1A1 P00352 4/20 0.57
GLA P06280 1/20 0.57
GAA P10253 4/20 0.56
TP53 P04637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.56
CYP19A1 P11511 1/20 0.52

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
SCHEMBL7126449 0.77 CYP24A1 (0.94) CYP24A1CYP27B1
SCHEMBL1503388 0.74 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL1503385 0.74 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL8540395 0.74 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL17793731 0.72 MAPT (0.64) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL14863192 0.72 CYP19A1 (0.54) CYP24A1CYP27B1MAPTMEN1KMT2A
SCHEMBL16700855 0.71 CYP17A1 (0.68) CYP24A1CYP3A4
SCHEMBL11214315 0.71 CYP19A1 (0.61) CYP24A1CYP27B1MAPTMEN1KMT2A
SCHEMBL11366789 0.70 CYP19A1 (1.00) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL8535942 0.68 CYP19A1 (0.61) CYP24A1CYP27B1MAPTMEN1KMT2A

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-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO claimed