SCHEMBL7984367

SCHEMBL7984367

Cc1c(Cn2cnnn2)cccc1SCCc1ccccc1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
THRB P10828 2/20 0.36
HMOX1 P09601 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7998624 0.81 KMT2A (0.35) TP53ALDH1A1THRBKMT2ALMNA
SCHEMBL7997710 0.80 LMNA (0.48) TP53ALDH1A1JAK2JAK1THRB
SCHEMBL7994393 0.79 ALDH1A1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7984361 0.79 SMN1; SMN2 (0.36) TP53ALDH1A1JAK2JAK1THRB
SCHEMBL7984074 0.78 TDP1 (0.38) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7994556 0.76 HDAC1 (0.41) ALDH1A1THRBKMT2ALMNASMN1; SMN2
SCHEMBL7994486 0.75 HDAC6 (0.41) TP53ALDH1A1THRBKMT2ALMNA
SCHEMBL2022897 0.65 POLB (0.53) ALDH1A1KMT2ALMNA
SCHEMBL27505254 0.65 JAK2 (0.51) TP53ALDH1A1JAK2JAK1HMOX1
SCHEMBL948318 0.65 MAPT (0.59) ALDH1A1KMT2ALMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed