SCHEMBL20194441

SCHEMBL20194441

O=C(Nc1ccccc1-c1ccccc1)C(=O)Nc1ccc(F)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
CHRM3 P20309 6/20 0.53
CHRM2 P08172 4/20 0.53
CHRM1 P11229 4/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.47
TACR1 P25103 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL18415465 0.95 MAPT (0.56) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL3906763 0.85 MAPT (0.56) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL18415557 0.85 ALDH1A1 (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18415497 0.83 ALDH1A1 (0.49) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL17209129 0.83 MAPT (0.54) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL23808918 0.80 MAPT (0.55) MAPTCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL17805491 0.80 CHRM3 (0.61) MAPTCHRM3CHRM2CHRM1
SCHEMBL18415445 0.78 PTPN1 (0.58) MAPTALDH1A1LMNARAB9AMEN1
SCHEMBL3910619 0.77 ALDH1A1 (0.57) MAPTCHRM3ALDH1A1LMNARAB9A
SCHEMBL16438520 0.77 CHRM3 (0.50) MAPTCHRM3CHRM2CHRM1

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
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed