SCHEMBL5325316

SCHEMBL5325316

CCOC(=O)CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TOP2A P11388 1/20 0.38
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8170659 0.88 TBXAS1 (0.41) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL7971128 0.88 ALDH1A1 (0.43) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5319750 0.83 MEN1 (0.41) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL5320461 0.81 BLM (0.38) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL27032230 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CYP4F2CYP4A11POLBLMNA
SCHEMBL5328017 0.80 KMT2A (0.40) LMNAMAPTMEN1KMT2ATP53
SCHEMBL27032634 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CYP4F2CYP4A11POLBLMNA
SCHEMBL8806580 0.79 KMT2A (0.44) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL1564315 0.77 TSHR (0.41) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL7868637 0.77 HSP90AA1 (0.52) SMN1; SMN2MAPTMEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed