SCHEMBL19423733

SCHEMBL19423733

CCN(CC)c1ccc2cc(C(=O)NC(CCCCN)C(=O)NCC(N)=O)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ MAPT P10636 7/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ ATM Q13315 3/20 0.55
▸ MAOB P27338 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC16A3 O15427 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SLC16A1 P53985 1/20 0.51
▸ GBA1 P04062 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48

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
SCHEMBL19423826 0.88 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17742665 0.80 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573485 0.78 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19423787 0.78 PTPN2 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13081989 0.77 KMT2A (0.70) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL20834029 0.77 PTPN2 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL18470199 0.76 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12221079 0.75 KMT2A (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL580009 0.75 MEN1 (0.77) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573482 0.75 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-2017172881-A1 THERMOGENIC COMPOSITIONS AND METHODS OHIO STATE INNOVATION FOUNDATION (US) 2017-10-05 — — WO disclosed
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