SCHEMBL11243595

SCHEMBL11243595

O=C(Nc1ccc(Cl)cc1F)C1=C(C(=O)N2CCCC2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 2/20 0.47
RAB9A P51151 4/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
DHODH Q02127 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL11230959 0.83 NPSR1 (0.65) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11219278 0.82 KMT2A (0.51) NPC1MAPTKDM4EGAAKMT2A
Ammonia Solution, Strong SCHEMBL11680028 0.82 NPSR1 (0.64) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11413240 0.80 NPSR1 (0.57) NPC1MAPTKMT2ARAB9AHPGD
SCHEMBL11227353 0.80 DHODH (0.50) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11241747 0.79 KMT2A (0.48) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL28504510 0.79 MAPT (0.68) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11401544 0.79 DHODH (0.46) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11222537 0.77 NPC1 (0.48) NPC1MAPTKDM4EGAAKMT2A
SCHEMBL11135643 0.77 KMT2A (0.48) NPC1MAPTKDM4EGAAKMT2A

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-4362546-A Tetrahydrophthalamide derivatives, herbicidal compositions and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US claimed