SCHEMBL21096736

SCHEMBL21096736

COc1ccc2c(c1OC)N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
P4HTM Q9NXG6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
PTAFR P25105 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CSF1R P07333 2/20 0.34
PTGS2 P35354 2/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL17727593 0.93 MAPT (0.36) MAPTP4HTMSMN1; SMN2THRBPOLB
SCHEMBL22864303 0.92 MAPT (0.36) MAPTP4HTMSMN1; SMN2THRBPOLB
SCHEMBL19346312 0.90 MAPT (0.34) MAPTP4HTMSMN1; SMN2THRBPOLB
SCHEMBL21096738 0.90 MAPT (0.35) MAPTP4HTMSMN1; SMN2POLBPTAFR
SCHEMBL19328941 0.90 TEK (0.34) MAPTP4HTMMEN1KMT2ACSF1R
SCHEMBL1655754 0.89 MAPT (0.34) MAPTMEN1KMT2AKDR
SCHEMBL21096837 0.89 MAPT (0.34) MAPTSMN1; SMN2
SCHEMBL29475091 0.89 MAPT (0.34) MAPTMEN1KMT2AKDR
SCHEMBL19328940 0.89 CSNK2A2 (0.37) THRBPTAFRMEN1KMT2AHDAC1
SCHEMBL19328643 0.87 PTAFR (0.37) MAPTP4HTMSMN1; SMN2THRBPOLB

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
WO-2021202830-A2 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
WO-2019118830-A1 HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed