SCHEMBL11355337

SCHEMBL11355337

O=[N+]([O-])c1ccc(OSc2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGES O14684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSPB1 P04792 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
SCHEMBL11067069 0.80 PDE7A (0.45) ALDH1A1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL8564485 0.77 LMNA (0.61) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11404352 0.74 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL347599 0.74 HSPB1 (0.53) ALDH1A1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL11064622 0.71 TXNRD1 (0.62) ALDH1A1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL7228750 0.71 MAPT (0.61) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11067211 0.70 HSD17B10 (0.47) ALDH1A1HTTGAAHSPB1
SCHEMBL27286335 0.69 ALDH1A1 (0.63) ALDH1A1LMNAHTTRAB9AMEN1
SCHEMBL11805291 0.69 TXNRD1 (0.58) ALDH1A1LMNAHTTRAB9AMEN1
SCHEMBL18476534 0.69 ALOX5 (0.47) ALDH1A1LMNAHTTMEN1KMT2A

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-4275077-A Insecticidal acyl urea derivatives CELAMERCK GMBH & CO. KG (DE) 1981-06-23 US disclosed