SCHEMBL21394934

SCHEMBL21394934

CN1N=C(C(=O)Nc2nc(Cc3cccc(F)c3)cs2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
ROCK1 Q13464 2/20 0.40
PRKACA P17612 1/20 0.40
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.39
GCK P35557 1/20 0.38
CSNK2A2 P19784 1/20 0.38

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
SCHEMBL21395137 0.89 LMNA (0.47) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL21394962 0.83 NPC1 (0.48) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL29356723 0.83 ALDH1A1 (0.47) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL21394836 0.83 ALDH1A1 (0.47) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL21395006 0.82 MEN1 (0.52) SMN1; SMN2ALDH1A1RAB9AKMT2AMEN1
SCHEMBL29356718 0.82 RAB9A (0.45) SMN1; SMN2ALDH1A1RAB9AKMT2AMEN1
SCHEMBL21394591 0.82 RAB9A (0.45) SMN1; SMN2ALDH1A1RAB9AKMT2AMEN1
SCHEMBL21394887 0.82 MAPT (0.47) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL21394882 0.81 SCD (0.52) KDM4EHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL29353798 0.81 SCD (0.52) KDM4EHTTLMNASMN1; SMN2ALDH1A1

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