SCHEMBL5501265

SCHEMBL5501265

CC(Br)OC(=O)NC(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MME P08473 2/20 0.37
RAB9A P51151 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
TYR P14679 1/20 0.36
FOLH1 Q04609 6/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL23766673 0.84 HTT (0.43) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL15271430 0.80 MME (0.36) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL28101354 0.80 MME (0.36) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL194101 0.78 MME (0.41) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL194100 0.78 MME (0.41) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL444915 0.78 MME (0.41) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL12658356 0.77 MME (0.42) MMERAB9AACECPA1ACE2
SCHEMBL30682423 0.75 TYR (0.35) ALDH1A1SMN1; SMN2KDM4EMMERAB9A
SCHEMBL962888 0.72 MME (0.33) MMERAB9AACECPA1ACE2
SCHEMBL962887 0.72 MME (0.33) MMERAB9AACECPA1ACE2

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
EP-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed