SCHEMBL8430866

SCHEMBL8430866

CCCCNC(=O)N(OC)[C@@H](Cc1ccccc1)C(=O)Oc1cccc(NC(=N)N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASR P41180 1/20 0.38
USP2 O75604 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
SIRT1 Q96EB6 3/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LTA4H P09960 1/20 0.36
PDE4A P27815 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8432475 0.89 RAB9A (0.42) RAB9ACASRUSP2UBE2MDCUN1D1
SCHEMBL8431238 0.82 RAB9A (0.39) KMT2ARAB9ACASRUSP2CRHBP
SCHEMBL8430868 0.82 RAB9A (0.41) RAB9AUSP2CRHBPCRHR2LTA4H
SCHEMBL8431173 0.76 CTSD (0.35) RAB9AUSP2UBE2MDCUN1D1LTA4H
SCHEMBL8431230 0.76 RAB9A (0.40) KMT2ARAB9AUSP2CRHBPCRHR2
SCHEMBL8431034 0.74 ALDH1A1 (0.41) HSD17B10RAB9AUSP2UBE2MDCUN1D1
SCHEMBL8429288 0.73 CA2 (0.38) RAB9AUSP2CRHBPCRHR2LTA4H
SCHEMBL8428881 0.73 PLAU (0.34) PKMHSD17B10ALDH1A1
SCHEMBL8432438 0.73 RAB9A (0.37) RAB9AUSP2SIRT2CRHBPCRHR2
SCHEMBL8431432 0.72 RAB9A (0.36) KMT2ARAB9AUSP2SIRT2SIRT1

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