SCHEMBL4749413

SCHEMBL4749413

CCOC(=O)c1cnc2ccc(C(=O)N(C)C)cc2c1Nc1cccc(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
TP53 P04637 5/20 0.62
CREBBP Q92793 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55
PAX8 Q06710 1/20 0.54
PDE4B Q07343 1/20 0.51
CSF1R P07333 1/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MC4R P32245 1/20 0.49
HTT P42858 1/20 0.49
CLK1 P49759 1/20 0.49

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
SCHEMBL4746705 0.91 CREBBP (0.59) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL14043041 0.88 MAPT (0.64) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL4750342 0.86 MAPT (0.58) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL23494128 0.85 MAPT (0.65) MAPTTP53KDM4EALDH1A1CSF1R
SCHEMBL31307864 0.85 MAPT (0.65) MAPTTP53KDM4EALDH1A1CSF1R
SCHEMBL4747116 0.82 PAX8 (0.67) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL5331640 0.82 MAPT (0.83) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL4749734 0.80 PAX8 (0.67) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL4749689 0.80 PAX8 (0.64) MAPTTP53CREBBPKDM4EALDH1A1
SCHEMBL4746514 0.80 PAX8 (0.64) MAPTTP53CREBBPKDM4EALDH1A1

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-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO claimed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed