SCHEMBL9464991

SCHEMBL9464991

Cc1nc(-c2ccc(Cl)cc2)nn(CCN2CCOCC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ AVPR1B P47901 1/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ BCHE P06276 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ ACHE P22303 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
SCHEMBL9465629 0.88 TLR9 (0.53) ALDH1A1RAB9AKMT2AMEN1NPSR1
SCHEMBL9465107 0.86 AVPR1B (0.53) KMT2AMEN1TSHRMAPTAVPR1B
SCHEMBL9464977 0.85 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL9465745 0.80 SLC2A1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL9465008 0.78 MAPT (0.47) ALDH1A1KMT2AMEN1NPSR1USP2
SCHEMBL9464986 0.75 LIPE (0.46) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL9465413 0.73 MEN1 (0.52) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL9464969 0.73 TSHR (0.46) ALDH1A1KMT2AMEN1TSHRAVPR1B
SCHEMBL9464852 0.73 AVPR1B (0.53) ALDH1A1KMT2AMEN1MAPTAVPR1B
SCHEMBL9464655 0.71 AVPR1B (0.47) ALDH1A1KMT2AMEN1TSHRMAPT

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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