SCHEMBL21394912

SCHEMBL21394912

COc1cc(C(C)C)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.37
BRD9 Q9H8M2 2/20 0.37
ATM Q13315 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDE3A Q14432 2/20 0.35
PDE4B Q07343 1/20 0.35
TDP2 O95551 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE10A Q9Y233 2/20 0.33
ENPP1 P22413 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21394609 0.77 SMN1; SMN2 (0.44) SMN1; SMN2LMNABRD9ATMTDP2
SCHEMBL21395095 0.75 TLR9 (0.36) SMN1; SMN2LMNAKMT2ACRHR1ALDH1A1
SCHEMBL9203781 0.72 PDE4B (0.37) PDE3APDE4BPDE10A
SCHEMBL21384203 0.71 GPR35 (0.44) SMN1; SMN2LMNAATMALDH1A1
SCHEMBL18538394 0.67 CREBBP (0.46) SMN1; SMN2BRD9HDAC4HDAC8CREBBP
SCHEMBL28786095 0.66 ENPP1 (0.44) SMN1; SMN2LMNABRD9ATMPDE3A
SCHEMBL25925464 0.66 TDP2 (0.43) SMN1; SMN2LMNABRD9TDP2MAPT
SCHEMBL24393050 0.66 PDE10A (0.49) SMN1; SMN2LMNABRD9PDE3ATDP2
SCHEMBL22031949 0.66 KAT2B (0.39) SMN1; SMN2BRD9ATMPDE3ACREBBP
SCHEMBL22016469 0.66 PDE3B (0.45) SMN1; SMN2HDAC4HDAC8PDE3APDE4B

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed