SCHEMBL10797697

SCHEMBL10797697

COC(=O)C(Cl)C(Cl)c1ccccc1.O=C(O)CONC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CASP1 P29466 1/20 0.43
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8925930 0.81 KMT2A (0.60) KMT2ALMNAALDH1A1PTGS1PTGS2
SCHEMBL132682 0.79 NPC1 (0.65) KMT2ANPC1RAB9ACASP1HPGD
SCHEMBL10797695 0.79 LMNA (0.45) KMT2ANPC1RAB9ALMNAHPGD
Ammonia Solution, Strong SCHEMBL5933498 0.78 NPC1 (0.62) KMT2ANPC1RAB9ACASP1ALDH1A1
SCHEMBL13479729 0.70 NPC1 (0.61) KMT2ANPC1RAB9ACASP1ALDH1A1
SCHEMBL31556283 0.70 KMT2A (0.58) KMT2ALMNAHPGDALDH1A1GLA
SCHEMBL6945331 0.69 KMT2A (0.56) KMT2ALMNAALDH1A1PTGS1PTGS2
SCHEMBL6945334 0.69 KMT2A (0.56) KMT2ALMNAALDH1A1PTGS1PTGS2
SCHEMBL10979168 0.69 KMT2A (0.56) KMT2ALMNAHPGDALDH1A1PTGS1
SCHEMBL1534403 0.69 RAB9A (0.64) KMT2ANPC1RAB9ALMNAALDH1A1

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-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed