SCHEMBL8334444

SCHEMBL8334444

C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)OC)o2)SC1=S

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.58
TNFRSF1A P19438 2/20 0.53
SYK P43405 1/20 0.53
MAP3K5 Q99683 8/20 0.51
ENPP2 Q13822 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
GFER P55789 1/20 0.49
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
RAB9A P51151 1/20 0.45
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45

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
SCHEMBL3897019 0.88 MEN1 (0.64) MEN1KMT2APOLBTNFRSF1ASYK
SCHEMBL3897021 0.88 MEN1 (0.64) MEN1KMT2APOLBTNFRSF1ASYK
SCHEMBL6107999 0.82 MAP3K5 (0.73) MEN1KMT2APOLBTNFRSF1ASYK
SCHEMBL6108001 0.82 MAP3K5 (0.73) MEN1KMT2APOLBTNFRSF1ASYK
SCHEMBL3126558 0.79 POLB (0.80) MEN1KMT2APOLBMAP3K5ENPP2
SCHEMBL3126564 0.79 POLB (0.80) MEN1KMT2APOLBMAP3K5ENPP2
SCHEMBL3126561 0.79 POLB (0.80) MEN1KMT2APOLBMAP3K5ENPP2
SCHEMBL3135207 0.78 TNFRSF1A (0.68) MEN1KMT2ATNFRSF1ASYKMAP3K5
SCHEMBL3135211 0.78 TNFRSF1A (0.68) MEN1KMT2ATNFRSF1ASYKMAP3K5
SCHEMBL3135217 0.78 TNFRSF1A (0.68) MEN1KMT2ATNFRSF1ASYKMAP3K5

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-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed