SCHEMBL11243944

SCHEMBL11243944

COC(=O)c1ccc(C(=O)NCCSCc2cc(C)c(CN3CCCC3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM4 P08173 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
MLLT1 Q03111 1/20 0.39
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 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
SCHEMBL11253473 0.74 ACHE (0.53) SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL1833770 0.68 POLB (0.62) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL11363099 0.66 ACHE (0.54) SMN1; SMN2LMNAMAPTALDH1A1NPSR1
SCHEMBL2873979 0.65 CHKA (0.72) SMN1; SMN2MAPTALDH1A1HPGDKMT2A
SCHEMBL6171317 0.65 MAPT (0.57) SMN1; SMN2MAPTALDH1A1POLBHPGD
SCHEMBL10837355 0.65 KDM4E (0.69) ALDH1A1
SCHEMBL5561237 0.65 POLB (0.74) LMNAMAPTALDH1A1POLBHPGD
SCHEMBL228900 0.64 CHKA (0.71) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL1335735 0.64 CHKA (0.71) SMN1; SMN2LMNAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3882134 0.64 CHKA (0.71) SMN1; SMN2MAPTALDH1A1HPGDNPSR1

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
US-4318858-A ANTIHISTAMINES, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1982-03-09 US disclosed