SCHEMBL21948726

SCHEMBL21948726

C=C(C)[C@@H]1CC(=O)N(C)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.56
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 2/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD11B1 P28845 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
SCHEMBL14372529 0.81 BRD4 (0.63) BRD4P2RX7MAPTSMN1; SMN2POLB
SCHEMBL13803892 0.81 BRD4 (0.63) BRD4P2RX7MAPTSMN1; SMN2POLB
SCHEMBL24017871 0.77 MEN1 (0.32) BRD4MEN1ALDH1A1KMT2A
SCHEMBL15684270 0.77 BRD4 (0.63) BRD4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL119901 0.77 BRD4 (0.63) BRD4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL2811918 0.77 BRD4 (0.63) BRD4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL30307671 0.77 BRD4 (0.63) BRD4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL5190581 0.75 BRD4 (0.61) BRD4MEN1ALDH1A1KMT2AP2RX7
SCHEMBL15042119 0.74 BRD4 (0.51) BRD4ALDH1A1P2RX7MAPTSMN1; SMN2
SCHEMBL10926154 0.73 BRD4 (0.59) BRD4P2RX7MAPTSMN1; SMN2POLB

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-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 WO disclosed