SCHEMBL20676567

SCHEMBL20676567

CC(C)(C)CC(=O)N1CCC(c2nc(-c3ccc(C=N)c(NC=O)c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMO Q99835 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42

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
SCHEMBL20116723 0.88 LMNA (0.42) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20676566 0.86 LMNA (0.47) LMNAALOX15TSHRMAPK1ALDH1A1
SCHEMBL20676712 0.79 GRM5 (0.40)
SCHEMBL20117192 0.79 TLR9 (0.51) LMNAALOX15TSHRMAPK1SMO
SCHEMBL390887 0.76 LMNA (0.67) LMNAALOX15TSHRMAPK1CYP3A4
SCHEMBL20676705 0.76 SMO (0.49) LMNATSHRSMOALDH1A1MAPT
SCHEMBL20676430 0.75 LMNA (0.41) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20116325 0.75 TLR9 (0.49) LMNAALOX15TSHRMAPK1SMO
SCHEMBL20117208 0.74 MAPT (0.40) LMNASMOALDH1A1MAPTHTT
SCHEMBL22358012 0.74 LMNA (0.43) LMNAALOX15TSHRMAPK1SMO

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-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed