SCHEMBL20175994

SCHEMBL20175994

Cc1c(/N=N/c2cccc(O[SH](=O)=O)c2)c(O)n(C)c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.47
MAPT P10636 11/20 0.47
MEN1 O00255 11/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.44
PHGDH O43175 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MITF O75030 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL14379282 0.82 MEN1 (0.51) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL10184550 0.82 MAPT (0.65) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL15693777 0.81 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL14402949 0.81 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18267329 0.81 MEN1 (0.47) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL14583726 0.76 MEN1 (0.46) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL13760317 0.76 MEN1 (0.46) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18335256 0.76 MAPT (0.54) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18335257 0.76 MAPT (0.54) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL10119039 0.75 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018091446-A1 PROCESS FOR DYEING AND FOAMING THERMOPLASTIC POLYURETHANE HUNTSMAN INTERNATIONAL LLC (US) 2018-05-24 WO disclosed