SCHEMBL11227353

SCHEMBL11227353

CC(C)NC(=O)C1=C(C(=O)Nc2ccc(Cl)cc2F)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.50
NR4A2 P43354 5/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
JMJD7 P0C870 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45

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 0.85 NPSR1 (0.65) DHODHNR4A2KMT2ANPC1RAB9A
Ammonia Solution, Strong SCHEMBL11680028 0.84 NPSR1 (0.64) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11219278 0.84 KMT2A (0.51) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11241747 0.84 KMT2A (0.48) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11401544 0.83 DHODH (0.46) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11217259 0.82 DHODH (0.41) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11413240 0.82 NPSR1 (0.57) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11247844 0.81 NPC1 (0.46) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11236589 0.81 KMT2A (0.48) DHODHNR4A2KMT2ANPC1RAB9A
SCHEMBL11243595 0.80 NPC1 (0.53) DHODHKMT2ANPC1RAB9AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54076557-A None JP disclosed
US-4328367-A HERBICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-04 US disclosed
JP-S5476557-A TETRAHYDROPHTHALAMIDE DERIVATIVE, ITS PREPARATION AND FORMULATION CONTAINING THE SAME TAKEDA CHEM IND LTD 1979-06-19 JP disclosed