SCHEMBL21394836

SCHEMBL21394836

Cc1nc(NC(=O)C2=NN(C)C(=O)CC2)sc1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 6/20 0.44
HTT P42858 5/20 0.44
RAB9A P51151 5/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 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
SCHEMBL29356723 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL21394887 0.90 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL21395006 0.83 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL21394962 0.83 NPC1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL29353798 0.83 SCD (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL21394934 0.83 KDM4E (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL21394882 0.83 SCD (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL21395166 0.80 RAB9A (0.44) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL21394922 0.80 RAB9A (0.55) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL29357533 0.80 RAB9A (0.55) ALDH1A1MAPTLMNASMN1; SMN2KMT2A

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