SCHEMBL638404

SCHEMBL638404

COC(=O)c1ccc2c(c1)nc(C)n2COCC[Si](C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
RAB9A P51151 6/20 0.49
PTGER4 P35408 4/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 7/20 0.45
NPC1 O15118 5/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL2749549 0.88 HSD17B10 (0.52) KDM4ERAB9APTGER4KMT2ANPC1
SCHEMBL31085038 0.88 KDM4E (0.50) KDM4ERAB9AKMT2AMAPTNPC1
SCHEMBL1543013 0.82 TDP1 (0.45) KDM4ERAB9AKMT2AMAPTNPC1
SCHEMBL19023458 0.81 BRD4 (0.44) KDM4ERAB9AKMT2AMAPTNPC1
SCHEMBL1731129 0.80 KDM4E (1.00) KDM4ERAB9APTGER4KMT2AMAPT
SCHEMBL638300 0.80 RPS6KA5 (0.45) KDM4ERAB9AKMT2ANPC1
SCHEMBL3534595 0.79 KDM4E (0.45) KDM4ERAB9APTGER4NPC1TSHR
SCHEMBL31085125 0.79 NPC1 (0.44) KDM4ERAB9APTGER4KMT2AMAPT
SCHEMBL2750918 0.79 NPC1 (0.44) KDM4EPTGER4KMT2AMAPTNPC1
SCHEMBL5329810 0.79 KDM4E (0.44) KDM4ERAB9APTGER4NPC1TSHR

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-8119648-B2 Arthritis, obesity, (non-insulin dependent) diabetes calcitonin-induced osteoporosis; administering allograft transplantation; dipeptidyl peptidase-IV (DPP-IV) inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-02-21 US disclosed