SCHEMBL11241747

SCHEMBL11241747

CN(C)C(=O)C1=C(C(=O)Nc2ccc(Cl)cc2F)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DHODH Q02127 6/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NR4A2 P43354 2/20 0.43
JMJD7 P0C870 1/20 0.43
NR4A1 P22736 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
SCHEMBL11247844 0.87 NPC1 (0.46) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11251672 0.85 DHODH (0.58) KMT2ANPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL11246036 0.84 DHODH (0.45) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11230959 0.84 NPSR1 (0.65) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11227353 0.84 DHODH (0.50) KMT2ANPC1RAB9AHPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL11680028 0.83 NPSR1 (0.64) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11219278 0.83 KMT2A (0.51) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11413240 0.81 NPSR1 (0.57) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11236589 0.80 KMT2A (0.48) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11401544 0.80 DHODH (0.46) KMT2ANPC1RAB9AHPGDSMN1; SMN2

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 disclosed