SCHEMBL6322751

SCHEMBL6322751

CCOC(=O)c1cn(-c2ccccc2)c2nc(SC)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.47
PIM1 P11309 1/20 0.46
IRAK1 P51617 1/20 0.46
CAMK2B Q13554 1/20 0.46
CAMK2G Q13555 1/20 0.46
CAMK2D Q13557 1/20 0.46
PIM3 Q86V86 1/20 0.46

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
SCHEMBL3290264 0.83 ALDH1A1 (0.53) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7185413 0.80 PDE4A (0.65) TSHRMAPK1ALDH1A1KDM4EHPGD
SCHEMBL9536041 0.77 NPC1 (0.46) TSHRMAPK1ALDH1A1KMT2AKDM4E
SCHEMBL3293573 0.76 CSF1R (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5101006 0.76 NR4A2 (0.59) TSHRALDH1A1KDM4ENPC1LMNA
SCHEMBL16088470 0.76 CSF1R (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28537798 0.76 CSF1R (0.62) NPC1MAPT
SCHEMBL28526527 0.75 NPSR1 (0.60) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4583739 0.74 CSF1R (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL18312911 0.73 TDP1 (0.47) TSHRMAPK1ALDH1A1MEN1KMT2A

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-6900205-B2 1,8-Naphthyridine derivatives and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-05-31 US disclosed