SCHEMBL11076642

SCHEMBL11076642

C=CCOC(=O)c1cnn(-c2c(Cl)cc(Br)cc2Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TSHR P16473 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 4/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10344604 0.81 KMT2A (0.46) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL11077503 0.77 HTT (0.49) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL11101635 0.75 ALDH1A1 (0.70) HTTTSHRALDH1A1RAB9AHPGD
SCHEMBL10655728 0.75 HTT (0.67) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL10395055 0.74 CYP3A4 (0.40) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL562666 0.72 ALDH1A1 (0.50) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL9211791 0.70 NPC1 (0.63) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL10344685 0.70 MAPK1 (0.55) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL17844103 0.70 HTT (0.70) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL10395077 0.70 HTT (0.41) HTTTSHRMEN1KMT2AALDH1A1

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-4472192-A POST-AND PREEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 US disclosed