SCHEMBL10740451

SCHEMBL10740451

CCC(C)OC(=O)C(C(=O)O)C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KLK7 P49862 8/20 0.52
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MME P08473 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL10639437 0.79 RAB9A (0.50) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL7555674 0.76 POLB (0.61) MEN1KMT2AMAPTALDH1A1RXFP1
SCHEMBL11713690 0.75 MAPT (0.48) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL10740441 0.75 TSHR (0.59) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL11511231 0.74 KLK7 (0.44) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL18456226 0.73 MME (0.63) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL4151615 0.73 MME (0.63) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL5550287 0.73 MEN1 (0.67) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL12205972 0.73 MME (0.63) MEN1KMT2AKLK7MAPTALDH1A1
SCHEMBL11452160 0.73 CYP1A2 (0.64) MEN1KMT2AMAPTALDH1A1RXFP1

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-4636508-A 5-pyrimidinecarboxyamides and treatment of leukemia therewith UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-01-13 US disclosed