SCHEMBL19741475

SCHEMBL19741475

CCCCCCCCCCCCNC(=O)NSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MLYCD O95822 1/20 0.48
EPHX2 P34913 2/20 0.47
EPHX1 P07099 9/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NAAA Q02083 2/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL19741321 0.82 EPHX1 (0.61) EPHX2EPHX1HTTALDH1A1NAAA
SCHEMBL10667594 0.82 EPHX1 (0.61) EPHX2EPHX1HTTALDH1A1NAAA
SCHEMBL16323470 0.80 GAA (0.58) MEN1KMT2AEPHX2EPHX1HTT
SCHEMBL9528272 0.79 MGLL (0.57) EPHX1HTTSMN1; SMN2ALDH1A1
SCHEMBL9533114 0.79 MGLL (0.57) EPHX1HTTSMN1; SMN2ALDH1A1
SCHEMBL14873157 0.77 HPGD (0.57) MEN1KMT2AEPHX1HTTLMNA
SCHEMBL28929298 0.77 MLYCD (0.76) MEN1KMT2AMLYCDEPHX2SMN1; SMN2
SCHEMBL10662736 0.76 EPHX2 (0.50) EPHX2EPHX1HTTALDH1A1MAPT
SCHEMBL25865974 0.76 EPHX1 (0.43) EPHX2EPHX1HTTSMN1; SMN2LMNA
SCHEMBL13577932 0.76 MLYCD (0.73) MEN1KMT2AMLYCDEPHX2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10767112-B2 Methods of producing metal sulfides, metal selenides, and metal sulfides/selenides having controlled architectures using kinetic control THE TRUSTEES OF THE COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-08 US disclosed
US-20170369779-A1 METHODS OF PRODUCING METAL SULFIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-12-28 US disclosed