SCHEMBL27612477

SCHEMBL27612477

NCc1ccc(NC(=O)CCl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
KMT2A Q03164 4/20 0.45
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL27849573 0.81 CA1 (0.58) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL30613082 0.80 NPC1 (0.57) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL10603799 0.80 NPC1 (0.57) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL25358934 0.79 ALDH1A1 (0.53) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL5913136 0.78 ALDH1A1 (0.51) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL29678316 0.78 ALDH1A1 (0.51) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL1563575 0.78 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL28787280 0.76 LTC4S (0.54) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL5391295 0.74 ALDH1A1 (0.49) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL23972954 0.74 MAPT (0.54) CA1CA2ALDH1A1HTTSMN1; SMN2

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
CN-1697650-B Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC 2010-11-10 CN disclosed
CN-1697650-A Non-nucleoside reverse transcriptase inhibitors RIBAPHARM INC (US) 2005-11-16 CN disclosed