SCHEMBL8429249

SCHEMBL8429249

NN=CNc1cccc(OC(=O)C(N)(CC=O)Oc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
KMT2A Q03164 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
FABP1 P07148 1/20 0.31
DHODH Q02127 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL8534258 0.81 KMT2A (0.34) MAPK1KMT2ABCHEACHE
SCHEMBL8432262 0.75 ERCC5 (0.38) MAPK1KMT2AMITFPOLBHTT
SCHEMBL8429109 0.71 MEN1 (0.37) MAPK1KMT2AMITFPOLBFABP1
SCHEMBL8542420 0.67 MAPK1 (0.37) MAPK1KMT2AALDH1A1POLBHTT
SCHEMBL8534298 0.67 KMT2A (0.34) MAPK1KMT2APOLBHTT
SCHEMBL7863184 0.66 MAPK1 (0.56) MAPK1KMT2AMITFALDH1A1HTT
SCHEMBL6777725 0.64 RAB9A (0.50) KMT2AMITFALDH1A1POLB
SCHEMBL8432297 0.63 RAB9A (0.43) MAPK1KMT2AALDH1A1POLB
SCHEMBL19443946 0.62 ALDH1A1 (0.48) MAPK1KMT2AALDH1A1HTT
SCHEMBL7787102 0.62 KMT2A (0.47) KMT2AALDH1A1POLBHTT

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed