SCHEMBL11044178

SCHEMBL11044178

O=C(OC1CCCCS1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CHRNA7 P36544 2/20 0.45
SLC18A3 Q16572 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
STS P08842 4/20 0.42
ATM Q13315 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL11047049 0.95 KMT2A (0.49) KMT2AMEN1CHRNA7SLC18A3CHRM2
SCHEMBL1926317 0.79 MEN1 (0.65) KMT2AMEN1CHRNA7CHRM2CHRM4
SCHEMBL30669504 0.78 CHRNA7 (0.49) KMT2AMEN1CHRNA7SLC18A3CHRM2
SCHEMBL60478 0.78 MEN1 (0.63) KMT2AMEN1CHRNA7HTR3EHTR3B
SCHEMBL14720174 0.78 MEN1 (0.63) KMT2AMEN1CHRNA7HTR3EHTR3B
SCHEMBL31139240 0.78 MEN1 (0.63) KMT2AMEN1CHRNA7HTR3EHTR3B
SCHEMBL11592049 0.78 MEN1 (0.63) KMT2AMEN1CHRNA7HTR3EHTR3B
Ammonia Solution, Strong SCHEMBL597060 0.76 MEN1 (0.61) KMT2AMEN1CHRNA7HTR3EHTR3B
SCHEMBL1785360 0.75 SLC18A3 (0.61) KMT2AMEN1CHRNA7SLC18A3CHRM2
SCHEMBL10907426 0.75 SLC18A3 (0.61) KMT2AMEN1CHRNA7SLC18A3CHRM2

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-4438109-A Tylosin derivatives ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-03-20 US disclosed