SCHEMBL9464804

SCHEMBL9464804

CC(C)c1nc(-c2ccccc2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.49
▸ NR1H3 Q13133 7/20 0.49
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ DGAT1 O75907 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL9464746 0.78 NR1H2 (0.47) NR1H2NR1H3ATMPOLBNPC1
SCHEMBL9465143 0.77 NR1H2 (0.53) NR1H2NR1H3ATMNPSR1POLB
SCHEMBL26730596 0.70 KDM4E (0.42) ATMNPSR1POLBNPC1RAB9A
SCHEMBL9465535 0.69 NR1H2 (0.61) NR1H2NR1H3ATMNPSR1POLB
SCHEMBL1436121 0.69 NR1H2 (0.61) NR1H2NR1H3POLBNPC1RAB9A
SCHEMBL1786764 0.68 POLB (0.68) ATMNPSR1POLBNPC1RAB9A
SCHEMBL29480990 0.68 POLB (0.68) ATMNPSR1POLBNPC1RAB9A
SCHEMBL28987575 0.68 HPGD (0.47) POLBSMN1; SMN2TP53CYP1A2HPGD
SCHEMBL12089075 0.68 NR1H2 (0.60) NR1H2NR1H3POLBNPC1RAB9A
SCHEMBL11180907 0.68 NR1H2 (0.60) NR1H2NR1H3NPC1RAB9ALMNA

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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