SCHEMBL7484584

SCHEMBL7484584

NC(=O)Nc1nnc(SC(c2ccccc2)C2CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NR3C2 P08235 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
GLS O94925 4/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 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
SCHEMBL7479785 0.71 POLB (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL27480645 0.69 MEN1 (0.44) MEN1KMT2AMAPTNR3C2LMNA
SCHEMBL7484594 0.68 RAB9A (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL27566867 0.61 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4176732 0.59 HTR1E (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL22188704 0.59 HTR1E (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL2256136 0.58 KDR (0.72)
SCHEMBL8779422 0.57 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14962091 0.57 SLC6A2 (0.41)
SCHEMBL11090182 0.57 CA1 (0.37) SMN1; SMN2MEN1KMT2ATP53GLS

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-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed