SCHEMBL10685495

SCHEMBL10685495

COc1nc(C)nc(NC(=O)N(C)S(=O)(=O)c2cccnc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
EGFR P00533 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19417683 0.84 PTK2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL13881366 0.82 PTK2 (0.35) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL10680241 0.81 ALDH1A1 (0.48) KMT2AALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL11093773 0.79 NPSR1 (0.35) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL10675581 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL10681391 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1KDM4EEGFR
SCHEMBL10508336 0.74 CA1 (0.46) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL10734373 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1KDM4ETP53
SCHEMBL20247452 0.73 GAA (0.33) POLB
SCHEMBL5276681 0.72 GLA (0.40) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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
US-4776878-A PLANT GROWTH REGULATORS OR HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-11 US disclosed
US-4544401-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-01 US disclosed
EP-0013480-A2 Herbicidal pyridinesulfonamides, preparation and use thereof and compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-23 EP disclosed