SCHEMBL10401973

SCHEMBL10401973

[O]C(=O)NN1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.56
▸ KDM4E B2RXH2 9/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HSD17B10 Q99714 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SLC6A7 Q99884 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL7488520 0.88 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL8507747 0.86 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
Hydrochloric Acid SCHEMBL27510542 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL29857922 0.79 PLD1 (0.73) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL21353591 0.79 — —
SCHEMBL15800694 0.79 PLD1 (0.73) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL27580597 0.77 ALDH1A1 (0.82) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL8981923 0.77 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2HSD17B10POLB
SCHEMBL1459007 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL10403767 0.75 THRB (0.67) ALDH1A1KDM4ESMN1; SMN2HSD17B10THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 — — CN disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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