SCHEMBL18609788

SCHEMBL18609788

NC1NN=C(N2CCC(N3CCCC3)CC2)N1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 10/20 0.43
▸ L3MBTL3 Q96JM7 10/20 0.43
▸ MBTD1 Q05BQ5 2/20 0.40
▸ TP53BP1 Q12888 1/20 0.36
▸ HRH3 Q9Y5N1 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL4 Q8NA19 1/20 0.33

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
SCHEMBL20628967 0.65 CHIT1 (0.60) ALDH1A1
SCHEMBL23682775 0.61 L3MBTL3 (1.00) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL1813299 0.60 — —
SCHEMBL26117153 0.60 L3MBTL3 (0.52) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL26112589 0.60 L3MBTL3 (0.52) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL3195988 0.59 L3MBTL3 (0.43) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL11942150 0.59 L3MBTL3 (0.43) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL1543190 0.59 L3MBTL3 (0.43) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL488798 0.59 L3MBTL3 (0.48) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4
SCHEMBL12714589 0.59 L3MBTL3 (0.43) L3MBTL1L3MBTL3MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 — — EP disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 — — WO disclosed
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