SCHEMBL5791817

SCHEMBL5791817

CCCN(CCC)c1ccc(NC(=O)c2cccc(CCl)c2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GFER P55789 2/20 0.49
AKR1C2 P52895 5/20 0.46
AKR1C1 Q04828 5/20 0.46
AKR1C4 P17516 3/20 0.46
AKR1C3 P42330 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ABL1 P00519 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LTC4S Q16873 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SERPINE1 P05121 3/20 0.45
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL266097 0.90 SMN1; SMN2 (0.48) MEN1KMT2AGFERMAPTALDH1A1
SCHEMBL266705 0.75 ACHE (0.43) GFERMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL267335 0.74 SMN1; SMN2 (0.43) MEN1KMT2AGFERMAPTALDH1A1
SCHEMBL268502 0.73 AKR1C4 (0.65) MEN1KMT2AGFERAKR1C2AKR1C1
SCHEMBL28997861 0.71 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1ABL1
SCHEMBL268374 0.71 ALDH1A1 (0.55) MEN1KMT2AAKR1C2AKR1C1AKR1C4
SCHEMBL11867128 0.70 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL13137734 0.70 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1
SCHEMBL267931 0.70 HPGD (0.57) MEN1KMT2AGFERAKR1C2AKR1C1
SCHEMBL14075207 0.70 AKR1C2 (0.69) MEN1KMT2AGFERAKR1C2AKR1C1

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
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 EP disclosed