SCHEMBL8286357

SCHEMBL8286357

CCOC(=O)CSc1cc(C)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 2/20 0.40
PKM P14618 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
CSF1R P07333 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL8361765 0.90 GAA (0.45) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL8286356 0.87 CYP3A4 (0.41) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL8287463 0.87 SMN1; SMN2 (0.48) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL8286368 0.85 PDE11A (0.44) ALDH1A1TSHRHPGDKDM4EMAPT
SCHEMBL8286039 0.84 ALDH1A1 (0.43) ALDH1A1TSHRHPGDHSD17B10MAPT
SCHEMBL8286358 0.83 USP2 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8361761 0.83 ALDH1A1 (0.42) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL8286402 0.83 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL8286414 0.82 CSF1R (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL8287819 0.82 PDE11A (0.53) ALDH1A1TSHRHPGDHSD17B10MAPT

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-2005091857-A2 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
WO-2003027112-A1 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed